ChemSpider 2D Image | (3alpha,8alpha,9beta,10alpha,13alpha,14beta,16beta,17beta,20beta,25S)-Spirosol-5-en-3-yl 6-deoxy-alpha-D-mannopyranosyl-(1->2)-[6-deoxy-alpha-D-mannopyranosyl-(1->4)]-beta-L-glucopyranoside | C45H73NO15

(3α,8α,9β,10α,13α,14β,16β,17β,20β,25S)-Spirosol-5-en-3-yl 6-deoxy-α-D-mannopyranosyl-(1->2)-[6-deoxy-α-D-mannopyranosyl-(1->4)]-β-L-glucopyranoside

  • Molecular FormulaC45H73NO15
  • Average mass868.059 Da
  • Monoisotopic mass867.498047 Da
  • ChemSpider ID68894719

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(3α,8α,9β,10α,13α,14β,16β,17β,20β,25S)-Spirosol-5-en-3-yl 6-deoxy-α-D-mannopyranosyl-(1->2)-[6-deoxy-α-D-mannopyranosyl-(1->4)]-β-L-glucopyranoside [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β,16β,17β,20β,25S)-Spirosol-5-en-3-yl-6-desoxy-α-D-mannopyranosyl-(1->2)-[6-desoxy-α-D-mannopyranosyl-(1->4)]-β-L-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-D-mannopyranosyl-(1->2)-[6-désoxy-α-D-mannopyranosyl-(1->4)]-β-L-glucopyranoside de (3α,8α,9β,10α,13α,14β,16β,17β,20β,25S)-spirosol-5-én-3-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, (3α,8α,9β,10α,13α,14β,16β,17β,20β,25S)-spirosol-5-en-3-yl O-6-deoxy-α-D-mannopyranosyl-(1->;2)-O-[6-deoxy-α-D-mannopyranosyl-(1->4)]- [ACD/Index Name]

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: 1.619
Molar Refractivity: 219.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 6.58
ACD/KOC (pH 5.5): 20.67
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 218.23
ACD/KOC (pH 7.4): 685.96
Polar Surface Area: 238 Å2
Polarizability: 87.0±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 625.4±5.0 cm3

Click to predict properties on the Chemicalize site


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