ChemSpider 2D Image | 29-Hydroxy-11,29-dioxoolean-12-en-3-yl 2-O-hexopyranuronosylhexopyranosiduronic acid | C42H62O16

29-Hydroxy-11,29-dioxoolean-12-en-3-yl 2-O-hexopyranuronosylhexopyranosiduronic acid

  • Molecular FormulaC42H62O16
  • Average mass822.932 Da
  • Monoisotopic mass822.403809 Da
  • ChemSpider ID3375

More details:

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

29-Hydroxy-11,29-dioxoolean-12-en-3-yl 2-O-hexopyranuronosylhexopyranosiduronic acid [ACD/IUPAC Name]
29-Hydroxy-11,29-dioxoolean-12-en-3-yl-2-O-hexopyranuronosylhexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 2-O-hexopyranuronosylhexopyranosiduronique de 29-hydroxy-11,29-dioxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
Olean-12-en-29-oic acid, 3-[(2-O-hexopyranuronosylhexopyranuronosyl)oxy]-11-oxo- [ACD/Index Name]
11052-19-0 [RN]
53956-04-0 [RN]

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

NSC163964 [DBID]
NSC167409 [DBID]
NSC234419 [DBID]
NSC2800 [DBID]
NSC35348 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 971.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.4±6.0 kJ/mol
Flash Point: 288.1±27.8 °C
Index of Refraction: 1.621
Molar Refractivity: 201.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.64
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 267 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 73.7±5.0 dyne/cm
Molar Volume: 572.6±5.0 cm3

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