ChemSpider 2D Image | beta-D-mannosyl C32-phosphomycoketide | C38H77O9P

β-D-mannosyl C32-phosphomycoketide

  • Molecular FormulaC38H77O9P
  • Average mass708.986 Da
  • Monoisotopic mass708.530518 Da
  • ChemSpider ID9695305

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1-O-(Hydroxy{[(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl)-β-D-mannopyranose [German] [ACD/IUPAC Name]
1-O-(Hydroxy{[(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl)-β-D-mannopyranose [ACD/IUPAC Name]
1-O-(Hydroxy{[(4S,8S,16S,20S)-4,8,12,16,20-pentaméthylheptacosyl]oxy}phosphoryl)-β-D-mannopyranose [French] [ACD/IUPAC Name]
β-D-Mannopyranose, 1-O-[hydroxy[[(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy]phosphinyl]- [ACD/Index Name]
β-D-mannosyl C32-phosphomycoketide
(4S,8S,12S,16S,20S-pentamethylheptacosanyl)-β-D-mannosyl phosphate
1-O-(hydroxy{[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl)-β-D-mannopyranose
1-O-[(S)-Hydroxy{[(4s,8s,16s,20s)-4,8,12,16,20-Pentamethylheptacosyl]oxy}phosphoryl]-β-D-Mannopyranose
C32 mannosyl MPM
C32 mannosyl β-1 PM
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  • Miscellaneous

    • Chemical Class:

      A mannose phosphate consisting of <stereo>beta</stereo>-<stereo>D</stereo>-mannose having a (4<stereo>S</stereo>,8<stereo>S</stereo>,12<stereo>S</stereo>,16<stereo>S</stereo>,20<stereo>S</stereo>)-4,8 ,12,16,20-pentamethylheptacosyl)phosphate group at position 1. ChEBI CHEBI:61808
      A mannose phosphate consisting of beta-D-mannose having a (4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl)phosphate group at position 1. ChEBI CHEBI:61808
      A mannose phosphate consisting of beta-D-mannose having a (4S,8S,12S,16S,20S)-4,8; ,12,16,20-pentamethylheptacosyl)phosphate group at position 1. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61808

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

Density: 1.1±0.1 g/cm3
Boiling Point: 754.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.5±6.0 kJ/mol
Flash Point: 410.2±35.7 °C
Index of Refraction: 1.500
Molar Refractivity: 195.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: 13.96
ACD/LogD (pH 5.5): 6.29
ACD/BCF (pH 5.5): 5371.43
ACD/KOC (pH 5.5): 1730.40
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 4530.96
ACD/KOC (pH 7.4): 1459.65
Polar Surface Area: 156 Å2
Polarizability: 77.5±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 664.4±5.0 cm3

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