ChemSpider 2D Image | (3beta,4beta,5alpha,6alpha,15beta,22E,24R,25S)-3,4,6,8,15-Pentahydroxyergost-22-en-26-yl 2-O-(2-O-methylpentopyranosyl)pentopyranoside | C39H66O14

(3β,4β,5α,6α,15β,22E,24R,25S)-3,4,6,8,15-Pentahydroxyergost-22-en-26-yl 2-O-(2-O-methylpentopyranosyl)pentopyranoside

  • Molecular FormulaC39H66O14
  • Average mass758.933 Da
  • Monoisotopic mass758.445251 Da
  • ChemSpider ID29216943

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 22 defined stereocentres

More details:

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

(3β,4β,5α,6α,15β,22E,24R,25S)-3,4,6,8,15-Pentahydroxyergost-22-en-26-yl 2-O-(2-O-methylpentopyranosyl)pentopyranoside [ACD/IUPAC Name]
(3β,4β,5α,6α,15β,22E,24R,25S)-3,4,6,8,15-Pentahydroxyergost-22-en-26-yl-2-O-(2-O-methylpentopyranosyl)pentopyranosid [German] [ACD/IUPAC Name]
2-O-(2-O-Méthylpentopyranosyl)pentopyranoside de (3β,4β,5α,6α,15β,22E,24R,25S)-3,4,6,8,15-pentahydroxyergost-22-én-26-yle [French] [ACD/IUPAC Name]
Pentopyranoside, (3β,4β,5α,6α,15β,22E,24R,25S)-3,4,6,8,15-pentahydroxyergost-22-en-26-yl 2-O-(2-O-methylpentopyranosyl)- [ACD/Index Name]
acodontasteroside E

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

Density: 1.4±0.1 g/cm3
Boiling Point: 879.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.3±6.0 kJ/mol
Flash Point: 485.9±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 192.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.01
ACD/KOC (pH 5.5): 180.89
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.01
ACD/KOC (pH 7.4): 180.89
Polar Surface Area: 228 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 561.7±5.0 cm3

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