ChemSpider 2D Image | 3-Deoxy-Alpha-D-Manno-Oct-2-Ulopyranonosyl-(2->8)-3-Deoxy-Alpha-D-Manno-Oct-2-Ulopyranonosyl-(2->4)-3-Deoxy-Alpha-D-Manno-Oct-2-Ulopyranonosyl-(2->6)-2-Amino-2-Deoxy-4-O-Phosphono-Beta-D-Glucopyranose | C30H50NO29P

3-Deoxy-α-D-Manno-Oct-2-Ulopyranonosyl-(2->8)-3-Deoxy-α-D-Manno-Oct-2-Ulopyranonosyl-(2->4)-3-Deoxy-α-D-Manno-Oct-2-Ulopyranonosyl-(2->6)-2-Amino-2-Deoxy-4-O-Phosphono-β-D-Glucopyranose

  • Molecular FormulaC30H50NO29P
  • Average mass919.681 Da
  • Monoisotopic mass919.220581 Da
  • ChemSpider ID26327070

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(6R)-3-Deoxy-6-[(1R)-2-({(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranonosyl}oxy)-1-hydroxyethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2->4)-(6R)-3-deoxy-6-[(1R)-1,2-dihydroxy ethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2->6)-2-amino-2-deoxy-4-O-phosphono-β-D-glucopyranose [ACD/IUPAC Name]
(6R)-3-Desoxy-6-[(1R)-2-({(6R)-3-desoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranonosyl}oxy)-1-hydroxyethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2->4)-(6R)-3-desoxy-6-[(1R)-1,2-dihydr oxyethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2->6)-2-amino-2-desoxy-4-O-phosphono-β-D-glucopyranose [German] [ACD/IUPAC Name]
(6R)-3-Désoxy-6-[(1R)-2-({(6R)-3-désoxy-6-[(1R)-1,2-dihydroxyéthyl]-β-L-érythro-hex-2-ulopyranonosyl}oxy)-1-hydroxyéthyl]-β-L-érythro-hex-2-ulopyranonosyl-(2->4)-(6R)-3-désoxy-6-[(1R)-1,2-dihydr oxyéthyl]-β-L-érythro-hex-2-ulopyranonosyl-(2->6)-2-amino-2-désoxy-4-O-phosphono-β-D-glucopyranose [French] [ACD/IUPAC Name]
3-Deoxy-α-D-Manno-Oct-2-Ulopyranonosyl-(2->8)-3-Deoxy-α-D-Manno-Oct-2-Ulopyranonosyl-(2->4)-3-Deoxy-α-D-Manno-Oct-2-Ulopyranonosyl-(2->6)-2-Amino-2-Deoxy-4-O-Phosphono-β-D-Glucopyranose
β-D-Glucopyranose, O-3-deoxy-α-D-manno-2-octulopyranonosyl-(2->8)-O-3-deoxy-α-D-manno-2-octulopyranonosyl-(2->4)-O-3-deoxy-α-D-manno-2-octulopyranonosyl-(2->6)-2-amino-2-deoxy-, 4-(dihy drogen phosphate) [ACD/Index Name]
KD1

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1365.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 232.4±6.0 kJ/mol
Flash Point: 779.4±37.1 °C
Index of Refraction: 1.700
Molar Refractivity: 183.2±0.4 cm3
#H bond acceptors: 30
#H bond donors: 19
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -2.19
ACD/LogD (pH 5.5): -9.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 522 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 142.2±5.0 dyne/cm
Molar Volume: 474.0±5.0 cm3

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