ChemSpider 2D Image | PGDM | C16H24O7

PGDM

  • Molecular FormulaC16H24O7
  • Average mass328.358 Da
  • Monoisotopic mass328.152191 Da
  • ChemSpider ID29342060

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

133161-96-3 [RN]
6-{(1R,2R,3S,5S)-2-[(2Z)-4-Carboxy-2-buten-1-yl]-3,5-dihydroxycyclopentyl}-4-oxohexanoic acid [ACD/IUPAC Name]
6-{(1R,2R,3S,5S)-2-[(2Z)-4-Carboxy-2-buten-1-yl]-3,5-dihydroxycyclopentyl}-4-oxohexansäure [German] [ACD/IUPAC Name]
Acide 6-{(1R,2R,3S,5S)-2-[(2Z)-4-carboxy-2-butén-1-yl]-3,5-dihydroxycyclopentyl}-4-oxohexanoïque [French] [ACD/IUPAC Name]
Cyclopentanehexanoic acid, 2-[(2Z)-4-carboxy-2-buten-1-yl]-3,5-dihydroxy-γ-oxo-, (1R,2R,3S,5S)- [ACD/Index Name]
PGDM
6-[(1R,2R,3S,5S)-2-[(Z)-4-carboxybut-2-enyl]-3,5-dihydroxycyclopentyl]-4-oxohexanoic acid
9?,11?-dihydroxy-15-oxo-13,14-dihydro-2,3,18,19-tetranor-prostan-1,20-dioic acid
CID 71751556
PGD-M
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 607.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.6±6.0 kJ/mol
Flash Point: 335.3±26.6 °C
Index of Refraction: 1.549
Molar Refractivity: 80.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -2.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 253.4±3.0 cm3

Click to predict properties on the Chemicalize site


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