Found 13 results

Search term: C44H68O17 (Found by molecular formula)
ChemSpider 2D Image | (1beta,3alpha,9xi,14xi)-1-Hydroxyspirosta-5,25(27)-dien-3-yl beta-D-glucopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-(3xi)-alpha-D-threo-pentopyranoside | C44H68O17

(1β,3α,9ξ,14ξ)-1-Hydroxyspirosta-5,25(27)-dien-3-yl β-D-glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-(3ξ)-α-D-threo-pentopyranoside

  • Molecular FormulaC44H68O17
  • Average mass869.000 Da
  • Monoisotopic mass868.445679 Da
  • ChemSpider ID22912836

  • defined stereocentres - 22 of 25 defined stereocentres

More details:

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

(1β,3α,9ξ,14ξ)-1-Hydroxyspirosta-5,25(27)-dien-3-yl β-D-glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->;2)-(3ξ)-α-D-threo-pentopyranoside [ACD/IUPAC Name]
(1β,3α,9ξ,14ξ)-1-Hydroxyspirosta-5,25(27)-dien-3-yl-β-D-glucopyranosyl-(1->3)-6-desoxy-α-L-mannopyranosyl-(1->2)-(3ξ)-α-D-threo-pentopyranosid [German] [ACD/IUPAC Name]
α-D-threo-Pentopyranoside, (1β,3α,9ξ,14ξ)-1-hydroxyspirosta-5,25(27)-dien-3-yl O-β-D-glucopyranosyl-(1->3)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-, (3ξ)- [ACD/Index Name]
β-D-Glucopyranosyl-(1->3)-6-désoxy-α-L-mannopyranosyl-(1->2)-(3ξ)-α-D-thréo-pentopyranoside de (1β,3α,9ξ,14ξ)-1-hydroxyspirosta-5,25(27)-dién-3-yle [French] [ACD/IUPAC 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: 1.632
Molar Refractivity: 213.9±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.46
ACD/KOC (pH 5.5): 280.35
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.46
ACD/KOC (pH 7.4): 280.35
Polar Surface Area: 256 Å2
Polarizability: 84.8±0.5 10-24cm3
Surface Tension: 73.7±5.0 dyne/cm
Molar Volume: 599.6±5.0 cm3

Click to predict properties on the Chemicalize site


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