ChemSpider 2D Image | (2S,4aR,4bR,6aS,7R,8R,10aR,10bR,12aR)-7-Hydroxy-8-(hydroxymethyl)-8-[(3Z)-5-hydroxy-4-methyl-3-penten-1-yl]-1,1,4a,10a,10b-pentamethyloctadecahydro-2-chrysenyl 2-O-hexopyranosylhexopyranoside | C42H72O14

(2S,4aR,4bR,6aS,7R,8R,10aR,10bR,12aR)-7-Hydroxy-8-(hydroxymethyl)-8-[(3Z)-5-hydroxy-4-methyl-3-penten-1-yl]-1,1,4a,10a,10b-pentamethyloctadecahydro-2-chrysenyl 2-O-hexopyranosylhexopyranoside

  • Molecular FormulaC42H72O14
  • Average mass801.013 Da
  • Monoisotopic mass800.492188 Da
  • ChemSpider ID4579348

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 19 defined stereocentres

More details:

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

(2S,4aR,4bR,6aS,7R,8R,10aR,10bR,12aR)-7-Hydroxy-8-(hydroxymethyl)-8-[(3Z)-5-hydroxy-4-methyl-3-penten-1-yl]-1,1,4a,10a,10b-pentamethyloctadecahydro-2-chrysenyl 2-O-hexopyranosylhexopyranoside [ACD/IUPAC Name]
(2S,4aR,4bR,6aS,7R,8R,10aR,10bR,12aR)-7-Hydroxy-8-(hydroxymethyl)-8-[(3Z)-5-hydroxy-4-methyl-3-penten-1-yl]-1,1,4a,10a,10b-pentamethyloctadecahydro-2-chrysenyl-2-O-hexopyranosylhexopyranosid [German] [ACD/IUPAC Name]
2-O-Hexopyranosylhexopyranoside de (2S,4aR,4bR,6aS,7R,8R,10aR,10bR,12aR)-7-hydroxy-8-(hydroxyméthyl)-8-[(3Z)-5-hydroxy-4-méthyl-3-pentén-1-yl]-1,1,4a,10a,10b-pentaméthyloctadécahydro-2-chrysényle [French] [ACD/IUPAC Name]
Hexopyranoside, (2S,4aR,4bR,6aS,7R,8R,10aR,10bR,12aR)-octadecahydro-7-hydroxy-8-(hydroxymethyl)-8-[(3Z)-5-hydroxy-4-methyl-3-penten-1-yl]-1,1,4a,10a,10b-pentamethyl-2-chrysenyl 2-O-hexopyranosyl- [ACD/Index Name]

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

NSC674628 [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: 911.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.5±6.0 kJ/mol
Flash Point: 505.3±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 206.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 137.43
ACD/KOC (pH 5.5): 1179.69
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 137.43
ACD/KOC (pH 7.4): 1179.69
Polar Surface Area: 239 Å2
Polarizability: 81.7±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 599.2±5.0 cm3

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