C17h17n5o5 Adenosin, n-benzoyl- (7kci, 9ci, H333, H333, H331
| Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
| Molekular Gewiicht | 371.35 | - |
| Schmelzen Punkt (experimentell) | 152 ° C | - |
| Dicht (virausgesot) | 1.70 ± 0,1 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr |
| pka (virausgesot) | 7.87 ± 0,43 | Meescht sauer Tempo: 25 ° C |
Canonical Laachen O = C (NC1 = NC = NC2 = C1N = CN2C3C (CO) C (O) C3o) C = 4C = CC = CC = CC = CC = CC = CC1
ISOMRIC SMILE O [C @ H] 1 [C H] (N2C = 3C (N = C2) = C (NC (CC = CC = CC = CNA = CNA = CNA = CNC = CC = CC = CC = CC = CNA
Inchi
Inchi = 1s / c17h17o5 / C23-6-12,12-13) 17 (27--10) 2,8-19-15 (11) 2,00-5-9/19 / H17R1--60-12 (24) 13) 17 (27-10) 2,8---20-19-19-15) 9,00-5-9 / H17R1--60-12 (24) 13) 17 (27-10) 23-25h, 6h2, (H, 18,2111,26) / T10-, 12-, 13- / M1 / S1
Inchi Schlëssel
Nzdwtkfdauoooda-cnemgbdsa-n
3 aner Nimm fir dës Substanz
Benzamide, n- (9-β-d-r-rubafanosyl-9h-purin-6-yl) - (8cci); N-bozoyladenonen (ACI); N6-benzoyladoenin
| Eegeschafte verfügbar |
| Thermesch |
Thermesch
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Schmëlzpunkt | 152 ° C | (1) ic | |
(1) Galpallarrinan, Vidhya; Virworf - Indianer Akademie vun der Wëssenschafts, chemesch Wëssenschaften, (1989), 101 (5), 401-13, Capplang
Spektre verfügbar
1h nmr
13c nmr
Hetero nmr
IR
| Eegeschafte verfügbar |
| Biologesch |
| Chemeschen |
| Dicht |
| Lipinski |
| Struktur verbonnen |
Biologesch
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| BIKOCONSENTRATIOUN FIELD | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.83 | pH 2; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 2.56 | pH 3; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 2.67 | pH 4; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 2.68 | pH 5; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 2.65 | pH 6; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 2.37 | pH 7; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.16 | pH 8; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.0 | pH 9; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.0 | ph 10; Temp: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Chemeschen
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Kokéieren | 12.6 | pH 1; Temp: 25 ° C | (1) ACD |
| Kokéieren | 48,2 | pH 2; Temp: 25 ° C | (1) ACD |
| Kokéieren | 67.3.3 | pH 3; Temp: 25 ° C | (1) ACD |
| Kokéieren | 70 Joer 2010 | pH 4; Temp: 25 ° C | (1) ACD |
| Kokéieren | 70.3 | pH 5; Temp: 25 ° C | (1) ACD |
| Kokéieren | 69.5 | pH 6; Temp: 25 ° C | (1) ACD |
| Kokéieren | 62.2 | pH 7; Temp: 25 ° C | (1) ACD |
| Kokéieren | 30,5 | pH 8; Temp: 25 ° C | (1) ACD |
| Kokéieren | 5.54 | pH 9; Temp: 25 ° C | (1) ACD |
| Kokéieren | 1.22 | ph 10; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,12 | pH 1; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,770 | pH 2; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0.85 | pH 3; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0.86 | pH 4; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,877 | pH 5; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0.86 | pH 6; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0.81 | pH 7; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,50 | pH 8; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | -0,24 | pH 9; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | -0,89 | ph 10; Temp: 25 ° C | (1) ACD |
| AloggenO Aloggen | 0.868 ± 0,577 | Temp: 25 ° C | (1) ACD |
| Mass intrinsesch Solubilitéit | 0,037 g / l | Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,22 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,056 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,041 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,041 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,037 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,041 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,045 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,089 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,48 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 2.2 g / l | ph 10; Temp: 25 ° C | (1) ACD |
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Massebelibilitéit | 0,041 g / l | UNBUFFERERT WATER PH 5.93; Temp: 25 ° C | (1) ACD |
| Molar intrinsesch Solubilitéit | 1.0 x 10-4 Mol / l | Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 5.8 x 10-4 Mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1,5 x 10-4 Mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.1 x 10-4 Mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.1 x 10-4 Mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.0 x 10-4 Mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.1 x 10-4 Mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.2 X 10-4 MOL / L | pH 7; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 2.4 x 10-4 MOL / L | pH 8; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.3 x 10-3 Mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 6.0 x 10-3 Mol / l | ph 10; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.1 x 10-4 Mol / l | UNBUFFERERT WATER PH 5.93; Temp: 25 ° C | (1) ACD |
| Molekular Gewiicht | 371.35 | ||
| paka | 7.87 ± 0,43 | Meescht sauer Tempo: 25 ° C | (1) ACD |
| paka | 1.39 ± 0,10 | Déi meescht Basis Tempo: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Dicht
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Dicht | 1.70 ± 0,1 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar Volumen | 217.31.3 7,0 cm3 / mol | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Lipinski
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Fräi rotativ Obligatiounen | 6 | (1) ACD | |
| H Akzeptoren | 10 | (1) ACD | |
| H Donateuren | 4 | (1) ACD | |
| H Spender / Acceptor Zomm | 14 | (1) ACD | |
| AloggenO Aloggen | 0.868 ± 0,577 | Temp: 25 ° C | (1) ACD |
| Molekular Gewiicht | 371.35 |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Struktur verbonnen
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Polarfläch | 143 A2 | (1) ACD | |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Spektre verfügbar
1h nmr
13c nmr
| CODE CODEN | Gefor Ausso | Quellatioun |
| H333 | Ka schiedlech sinn wann inhaléiert ass | Expert gekämpft |
| H303 | Ka schiedlech sinn wann se geschluecht ginn | Expert gekämpft |
| H302 | Schiedlech wann geschluecht ginn | Europäesch Chicalagentur (Echa) Klassifikatioun & Labelataire - Informéiert Klassifikatioun a Liboiren - déi heebeg Notifikatiounen, Europäesch Chicatical Agentur (Echa) Klassifikatioun a Labelklassifizéierung a Labelklassiséierung a Labelklassiséierung a Labelschafts- |
Reguléierungslëscht: Erreechung, TCSI
Vertraulech Geschäftsinformatioun: ëffentlech
| Reguléierungsynonyme | ||
| ADNOONIN, N-BENZOYL- | Reach, TCSI | - |
| N- {9 - [(2r, 3R, 4s, 5R) -3-Nydroxy-5- (hydroyymyphyl) Oxolan-2-YL]-2-YLTAn-2-yl] | Erreechen | - |
| N6-benzoyladoenin | Erreechen | - |
Detailer per Land / International & aner Lëschte Land / Regioun Informatioun verfügbar
Europäesche Unioun Resourm
Inventaire Status op Erreeche Lëscht vun registréierte Substanzen
https://decha.Eeupopa.eu/substance-information/-/substational/100.132.652.658.658
Regulatiounslëscht Nummer ec nee.: 610-251-3
Taiwan Resumé
Inventaire Status op tcsi Taiwan Regierung ga
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