ChemSpider 2D Image | Cephalosporin P1 | C33H50O8

Cephalosporin P1

  • Molecular FormulaC33H50O8
  • Average mass574.745 Da
  • Monoisotopic mass574.350586 Da
  • ChemSpider ID2300941

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(3α,4α,5α,6α,7β,8α,9β,13α,14β,16β,17Z)-6,16-Diacetoxy-3,7-dihydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-oic acid [ACD/IUPAC Name]
(3α,4α,5α,6α,7β,8α,9β,13α,14β,16β,17Z)-6,16-Diacetoxy-3,7-dihydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-säure [German] [ACD/IUPAC Name]
13258-72-5 [RN]
5-Heptenoic acid, 2-[(3α,4α,5α,6α,7β,8α,9β,13α,14β,16β,17Z)-6,16-bis(acetyloxy)-3,7-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-6-methyl-, (2Z)- [ACD/Index Name]
Acide (3α,4α,5α,6α,7β,8α,9β,13α,14β,16β,17Z)-6,16-diacétoxy-3,7-dihydroxy-4,8,14-triméthyl-18-norcholesta-17,24-dién-21-oïque [French] [ACD/IUPAC Name]
Cephalosporin P1
(2Z)-2-[(3R,4S,5S,6R,7R,8S,9S,10R,13R,14S,16S)-6,16-diacetyloxy-3,7-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid
11012-13-8 [RN]
28-Nor-8-α,9-β,13-α,14-β-dammara-17(20),24-dien-21-oic acid, 3-α,6-α,7-β,16-β-tetrahydroxy-, 6,16-diacetate, (Z)-
Cephalosporin P

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

2U8E6JLQ1J [DBID]
UNII:2U8E6JLQ1J [DBID]
UNII-2U8E6JLQ1J [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 666.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±6.0 kJ/mol
Flash Point: 203.4±25.0 °C
Index of Refraction: 1.557
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 260.80
ACD/KOC (pH 5.5): 731.27
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 4.65
ACD/KOC (pH 7.4): 13.03
Polar Surface Area: 130 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 478.8±5.0 cm3

Click to predict properties on the Chemicalize site


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