ChemSpider 2D Image | (6Z,3R)-nerolidyl pyrophosphate | C15H28O7P2

(6Z,3R)-nerolidyl pyrophosphate

  • Molecular FormulaC15H28O7P2
  • Average mass382.326 Da
  • Monoisotopic mass382.131012 Da
  • ChemSpider ID52084909

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R,6Z)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-yl trihydrogen diphosphate [ACD/IUPAC Name]
(3R,6Z)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
(6Z,3R)-nerolidyl pyrophosphate
158110-37-3 [RN]
Diphosphoric acid, mono[(1R,4Z)-1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl] ester [ACD/Index Name]
Trihydrogénodiphosphate de (3R,6Z)-3,7,11-triméthyl-1,6,10-dodécatrién-3-yle [French] [ACD/IUPAC Name]
NEROLIDYL PYROPHOSPHATE, (6Z,3R)-

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

38QTY942GN [DBID]
UNII:38QTY942GN [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: 521.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.0±6.0 kJ/mol
Flash Point: 269.4±32.9 °C
Index of Refraction: 1.508
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): -2.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 311.6±3.0 cm3

Click to predict properties on the Chemicalize site


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