Found 1 result

Search term: 74878486 (Found by CSID)
ChemSpider 2D Image | (11R,23R)-14,17,20-Trihydroxy-23-(octanoyloxy)-14,20-dioxido-8,26-dioxo-9,13,15,19,21,25-hexaoxa-14lambda~5~,20lambda~5~-diphosphatritriacontan-11-yl pentadecanoate | C48H92O17P2

(11R,23R)-14,17,20-Trihydroxy-23-(octanoyloxy)-14,20-dioxido-8,26-dioxo-9,13,15,19,21,25-hexaoxa-14λ5,20λ5-diphosphatritriacontan-11-yl pentadecanoate

  • Molecular FormulaC48H92O17P2
  • Average mass1003.181 Da
  • Monoisotopic mass1002.580994 Da
  • ChemSpider ID74878486

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(11R,23R)-14,17,20-Trihydroxy-23-(octanoyloxy)-14,20-dioxido-8,26-dioxo-9,13,15,19,21,25-hexaoxa-14λ5,20λ5-diphosphatritriacontan-11-yl pentadecanoate [ACD/IUPAC Name]
(11R,23R)-14,17,20-Trihydroxy-23-(octanoyloxy)-14,20-dioxido-8,26-dioxo-9,13,15,19,21,25-hexaoxa-14λ5,20λ5-diphosphatritriacontan-11-yl-pentadecanoat [German] [ACD/IUPAC Name]
Pentadécanoate de (11R,23R)-14,17,20-trihydroxy-23-(octanoyloxy)-8,26-dioxo-14,20-dioxydo-9,13,15,19,21,25-hexaoxa-14λ5,20λ5-diphosphatritriacontan-11-yle [French] [ACD/IUPAC Name]
Pentadecanoic acid, (1R)-2-[[[3-[[[(2R)-2,3-bis[(1-oxooctyl)oxy]propoxy]hydroxyphosphinyl]oxy]-2-hydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxooctyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-3-{[(2R)-2,3-bis(octanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-3-(octanoyloxy)-2-(pentadecanoyloxy)propoxy)phosphinic acid
[(2S)-3-({[(2R)-2,3-bis(octanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-(octanoyloxy)-2-(pentadecanoyloxy)propoxy]phosphinic acid
CL(8:0/8:0/8:0/15:0)

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 915.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.0±6.0 kJ/mol
Flash Point: 507.3±37.1 °C
Index of Refraction: 1.481
Molar Refractivity: 256.7±0.3 cm3
#H bond acceptors: 17
#H bond donors: 3
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 3
ACD/LogP: 15.08
ACD/LogD (pH 5.5): 9.14
ACD/BCF (pH 5.5): 430564.25
ACD/KOC (pH 5.5): 19752.10
ACD/LogD (pH 7.4): 9.14
ACD/BCF (pH 7.4): 430068.63
ACD/KOC (pH 7.4): 19729.36
Polar Surface Area: 257 Å2
Polarizability: 101.8±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 902.2±3.0 cm3

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