ChemSpider 2D Image | Spirostan-3-yl 2-O-[2-(hexopyranosyloxy)-3,4,5,6-tetrahydroxycyclohexyl]-4-O-pentopyranosylhexopyranoside | C50H82O22

Spirostan-3-yl 2-O-[2-(hexopyranosyloxy)-3,4,5,6-tetrahydroxycyclohexyl]-4-O-pentopyranosylhexopyranoside

  • Molecular FormulaC50H82O22
  • Average mass1035.173 Da
  • Monoisotopic mass1034.529785 Da
  • ChemSpider ID153288

More details:

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

2-O-[2-(Hexopyranosyloxy)-3,4,5,6-tétrahydroxycyclohexyl]-4-O-pentopyranosylhexopyranoside de spirostan-3-yle [French] [ACD/IUPAC Name]
Hexopyranoside, spirostan-3-yl 2-O-[2-(hexopyranosyloxy)-3,4,5,6-tetrahydroxycyclohexyl]-4-O-pentopyranosyl- [ACD/Index Name]
Spirostan-3-yl 2-O-[2-(hexopyranosyloxy)-3,4,5,6-tetrahydroxycyclohexyl]-4-O-pentopyranosylhexopyranoside [ACD/IUPAC Name]
Spirostan-3-yl-2-O-[2-(hexopyranosyloxy)-3,4,5,6-tetrahydroxycyclohexyl]-4-O-pentopyranosylhexopyranosid [German] [ACD/IUPAC Name]
103735-23-5 [RN]
Cantalasaponin 3
Cantalasaponin-3

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 248.2±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.71
ACD/KOC (pH 5.5): 272.13
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.71
ACD/KOC (pH 7.4): 272.13
Polar Surface Area: 346 Å2
Polarizability: 98.4±0.5 10-24cm3
Surface Tension: 83.0±5.0 dyne/cm
Molar Volume: 686.6±5.0 cm3

Click to predict properties on the Chemicalize site


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