ChemSpider 2D Image | 6-Deoxy-alpha-L-mannopyranosyl-(1->4)-D-glucopyranosyl-(1->6)-1-O-[(3beta)-3-{[(2xi)-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-erythro-pentopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-beta-D -glucopyranose | C59H96O26

6-Deoxy-α-L-mannopyranosyl-(1->4)-D-glucopyranosyl-(1->6)-1-O-[(3β)-3-{[(2ξ)-2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-erythro-pentopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D -glucopyranose

  • Molecular FormulaC59H96O26
  • Average mass1221.378 Da
  • Monoisotopic mass1220.619019 Da
  • ChemSpider ID66037

  • defined stereocentres - 31 of 33 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6-Deoxy-α-L-mannopyranosyl-(1->4)-D-glucopyranosyl-(1->6)-1-O-[(3β)-3-{[(2ξ)-2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-erythro-pentopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D
 -glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-mannopyranosyl-(1->4)-D-glucopyranosyl-(1->6)-1-O-[(3β)-3-{[(2ξ)-2-O-(6-desoxy-α-L-mannopyranosyl)-α-L-erythro-pentopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-β
 -D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->4)-D-glucopyranosyl-(1->6)-1-O-[(3β)-3-{[(2ξ)-2-O-(6-désoxy-α-L-mannopyranosyl)-α-L-érythro-pentopyranosyl]oxy}-23-hydroxy-28-oxooléan-12-én-28-yl]-β
 -D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-D-glucopyranosyl-(1->6)-1-O-[(3β)-3-[[(2ξ)-2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-erythro-pentopyranosyl]oxy]-23-hydroxy-28-ox
 oolean-12-en-28-yl]- [ACD/Index Name]
(2S,3R,4S,5S,6R)-6-({[(3R,4R,5S,6R)-3,4-DIHYDROXY-6-(HYDROXYMETHYL)-5-{[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}OXAN-2-YL]OXY}METHYL)-3,4,5-TRIHYDROXYOXAN-2-YL (4AS,6AS,6BR,8AR,9R,10S,12AR,12BR,14BS)-10-{[(2S,4S,5S)-4,5-DIHYDROXY-3-{[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}OXAN-2-YL]OXY}-9-(HYDROXYMETHYL)-2,2,6A,6B,9,12A-HEXAMETHYL-1,3,4,5,6,7,8,8A,10,11,12,12B,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLATE
103470-80-0 [RN]
104748-89-2 [RN]
14216-03-6 [RN]
238-072-2 [EINECS]
52038-14-9 [RN]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS086294 [DBID]
AIDS-086294 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 294.5±0.4 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.46
ACD/KOC (pH 5.5): 382.19
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.46
ACD/KOC (pH 7.4): 382.19
Polar Surface Area: 413 Å2
Polarizability: 116.8±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 820.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement