ChemSpider 2D Image | (2S,4aR,4bR,6aS,7R,8R,10aS,10bR,12aR)-7-Hydroxy-8,10a-bis(hydroxymethyl)-8-(5-hydroxy-4-methyl-3-penten-1-yl)-1,1,4a,10b-tetramethyloctadecahydro-2-chrysenyl 2-O-hexopyranosylpentopyranoside | C41H70O14

(2S,4aR,4bR,6aS,7R,8R,10aS,10bR,12aR)-7-Hydroxy-8,10a-bis(hydroxymethyl)-8-(5-hydroxy-4-methyl-3-penten-1-yl)-1,1,4a,10b-tetramethyloctadecahydro-2-chrysenyl 2-O-hexopyranosylpentopyranoside

  • Molecular FormulaC41H70O14
  • Average mass786.986 Da
  • Monoisotopic mass786.476563 Da
  • ChemSpider ID340802

  • defined stereocentres - 9 of 18 defined stereocentres

More details:

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

(2S,4aR,4bR,6aS,7R,8R,10aS,10bR,12aR)-7-Hydroxy-8,10a-bis(hydroxymethyl)-8-(5-hydroxy-4-methyl-3-penten-1-yl)-1,1,4a,10b-tetramethyloctadecahydro-2-chrysenyl 2-O-hexopyranosylpentopyranoside [ACD/IUPAC Name]
(2S,4aR,4bR,6aS,7R,8R,10aS,10bR,12aR)-7-Hydroxy-8,10a-bis(hydroxymethyl)-8-(5-hydroxy-4-methyl-3-penten-1-yl)-1,1,4a,10b-tetramethyloctadecahydro-2-chrysenyl-2-O-hexopyranosylpentopyranosid [German] [ACD/IUPAC Name]
2-O-Hexopyranosylpentopyranoside de (2S,4aR,4bR,6aS,7R,8R,10aS,10bR,12aR)-7-hydroxy-8,10a-bis(hydroxyméthyl)-8-(5-hydroxy-4-méthyl-3-pentén-1-yl)-1,1,4a,10b-tétraméthyloctadécahydro-2-chrysényle [French] [ACD/IUPAC Name]
Pentopyranoside, (2S,4aR,4bR,6aS,7R,8R,10aS,10bR,12aR)-octadecahydro-7-hydroxy-8,10a-bis(hydroxymethyl)-8-(5-hydroxy-4-methyl-3-penten-1-yl)-1,1,4a,10b-tetramethyl-2-chrysenyl 2-O-hexopyranosyl- [ACD/Index Name]

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

NCI60_026471 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 910.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.2±6.0 kJ/mol
Flash Point: 504.3±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 201.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.05
ACD/KOC (pH 5.5): 275.90
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.05
ACD/KOC (pH 7.4): 275.90
Polar Surface Area: 239 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 582.6±5.0 cm3

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