ChemSpider 2D Image | 2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate | C38H60O11

2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate

  • Molecular FormulaC38H60O11
  • Average mass692.876 Da
  • Monoisotopic mass692.413574 Da
  • ChemSpider ID2331473

More details:

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

2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate [ACD/IUPAC Name]
2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl-methylhexopyranosiduronat [German] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 2,23-dihydroxy-3-[(6-methylhexopyranuronosyl)oxy]-, methyl ester [ACD/Index Name]
140366-50-3 [RN]
B-D-GLUCOPYRANOSIDURONIC ACID, (2A,3B,4A)-2,23-DIHYDROXY-28-METHOXY-28-OXOURS-12-EN-3-YL, METHYL ESTER (9CI)
WF11605

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

BRN 4898892 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 751.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.0±6.0 kJ/mol
Flash Point: 222.6±26.4 °C
Index of Refraction: 1.580
Molar Refractivity: 180.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 6.63
ACD/BCF (pH 5.5): 63788.07
ACD/KOC (pH 5.5): 95678.31
ACD/LogD (pH 7.4): 6.63
ACD/BCF (pH 7.4): 63787.16
ACD/KOC (pH 7.4): 95676.95
Polar Surface Area: 172 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 541.0±5.0 cm3

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