ChemSpider 2D Image | (1S,2R,7S,10S,11S,14R,15R,16S,19S)-10-(Hydroxymethyl)-14,16-dimethyl-17,20,21-trioxahexacyclo[14.4.1.0~1,14~.0~2,11~.0~5,10~.0~15,19~]henicos-4-en-7-yl 6-deoxy-3-O-methyl-beta-D-glucopyranosyl-(1->4)- 2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranoside | C49H78O18

(1S,2R,7S,10S,11S,14R,15R,16S,19S)-10-(Hydroxymethyl)-14,16-dimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-7-yl 6-deoxy-3-O-methyl-β-D-glucopyranosyl-(1->4)- 2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranoside

  • Molecular FormulaC49H78O18
  • Average mass955.133 Da
  • Monoisotopic mass954.518799 Da
  • ChemSpider ID9598063

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(1S,2R,7S,10S,11S,14R,15R,16S,19S)-10-(Hydroxymethyl)-14,16-dimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-7-yl 6-deoxy-3-O-methyl-β-D-glucopyranosyl-(1->4)- ;2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranoside [ACD/IUPAC Name]
(1S,2R,7S,10S,11S,14R,15R,16S,19S)-10-(Hydroxymethyl)-14,16-dimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-7-yl-6-desoxy-3-O-methyl-β-D-glucopyranosyl-(1->4) ;-2,6-didesoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1->4)-2,6-didesoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-3-O-methyl-β-D-arabino-hexopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-3-O-méthyl-β-D-glucopyranosyl-(1->4)-2,6-didésoxy-3-O-méthyl-β-D-arabino-hexopyranosyl-(1->4)-2,6-didésoxy-3-O-méthyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-3-O-méthyl-β-D-ara bino-hexopyranoside de (1S,2R,7S,10S,11S,14R,15R,16S,19S)-10-(hydroxyméthyl)-14,16-diméthyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]hénicos-4-én-7-yle [French] [ACD/IUPAC Name]
β-D-arabino-Hexopyranoside, (2S,4aS,4bS,6aR,6bR,7S,9aS,10aS,10bR)-2,3,4,4a,4b,5,6,6a,6b,7,9,9a,10b,11-tetradecahydro-4a-(hydroxymethyl)-6a,7-dimethyl-1H-7,10a-epoxyfuro[3,4-b]phenanthro[2,1-d]furan -2-yl O-6-deoxy-3-O-methyl-β-D-glucopyranosyl-(1->4)-O-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1->4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.573
Molar Refractivity: 238.5±0.4 cm3
#H bond acceptors: 18
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 371.87
ACD/KOC (pH 5.5): 2407.06
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 371.86
ACD/KOC (pH 7.4): 2407.05
Polar Surface Area: 199 Å2
Polarizability: 94.5±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 724.0±5.0 cm3

Click to predict properties on the Chemicalize site


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