ChemSpider 2D Image | Purapurine | C45H73NO16

Purapurine

  • Molecular FormulaC45H73NO16
  • Average mass884.058 Da
  • Monoisotopic mass883.492920 Da
  • ChemSpider ID106525

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(3b,22a,25R)-Spirosol-5-en-3-yl O-6-Deoxy-a-L-mannopyranosyl(1®2)-O-[b-D-glucopyranosyl(1®3)]-b-D-galactopyranoside
(3β,22α,25R)-Spirosol-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->;3)]-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,22α,25R)-Spirosol-5-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranosid [German] [ACD/IUPAC Name]
19121-58-5 [RN]
242-826-6 [EINECS]
6-Désoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranoside de (3β,22α,25R)-spirosol-5-én-3-yle [French] [ACD/IUPAC Name]
Purapurine
Solanine-S
Solasonine
β-D-Galactopyranoside, (3β,22α,25R)-spirosol-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->3)]- [ACD/Index Name]
More...

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

TR60638HXL [DBID]
UNII:TR60638HXL [DBID]
C10824 [DBID]
UNII-TR60638HXL [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 220.9±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.74
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 6.85
ACD/KOC (pH 7.4): 57.58
Polar Surface Area: 259 Å2
Polarizability: 87.6±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 622.5±5.0 cm3

Click to predict properties on the Chemicalize site


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