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Search term: ZBWKCDFMHFZRQG-MJTKDKBSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1S)-2-Acetamido-1,5-anhydro-2-deoxy-1-({hydroxy[(hydroxy{[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]oxy}phosphoryl)oxy]phosphoryl}methyl)-D-glucitol | C29H51NO11P2

(1S)-2-Acetamido-1,5-anhydro-2-deoxy-1-({hydroxy[(hydroxy{[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]oxy}phosphoryl)oxy]phosphoryl}methyl)-D-glucitol

  • Molecular FormulaC29H51NO11P2
  • Average mass651.663 Da
  • Monoisotopic mass651.293762 Da
  • ChemSpider ID61708972

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-2-Acetamido-1,5-anhydro-2-deoxy-1-({hydroxy[(hydroxy{[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]oxy}phosphoryl)oxy]phosphoryl}methyl)-D-glucitol [ACD/IUPAC Name]
(1S)-2-Acetamido-1,5-anhydro-2-deoxy-1-{[(R)-hydroxy{[(R)-hydroxy{[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]oxy}phosphoryl]oxy}phosphoryl]methyl}-D-glucitol [ACD/IUPAC Name]
(1S)-2-Acetamido-1,5-anhydro-2-desoxy-1-({hydroxy[(hydroxy{[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]oxy}phosphoryl)oxy]phosphoryl}methyl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-2-Acétamido-1,5-anhydro-2-désoxy-1-({hydroxy[(hydroxy{[(2Z,6Z,10Z)-3,7,11,15-tétraméthyl-2,6,10,14-hexadécatétraén-1-yl]oxy}phosphoryl)oxy]phosphoryl}méthyl)-D-glucitol [French] [ACD/IUPAC Name]
(1S)-2-Acetamido-1,5-anhydro-2-desoxy-1-{[(R)-hydroxy{[(R)-hydroxy{[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]oxy}phosphoryl]oxy}phosphoryl]methyl}-D-glucitol [German] [ACD/IUPAC Name]
(1S)-2-Acétamido-1,5-anhydro-2-désoxy-1-{[(R)-hydroxy{[(R)-hydroxy{[(2Z,6Z,10Z)-3,7,11,15-tétraméthyl-2,6,10,14-hexadécatétraén-1-yl]oxy}phosphoryl]oxy}phosphoryl]méthyl}-D-glucitol [French] [ACD/IUPAC Name]
[(2{s},3{r},4{r},5{s},6{r})-3-Acetamido-6-(Hydroxymethyl)-4,5-Bis(Oxidanyl)oxan-2-Yl]methyl-[oxidanyl-[(2{z},6{z},10{z})-3,7,11,15-Tetramethylhexadeca-2,6,10,14-Tetraenoxy]phosphoryl]oxy-Phosphinic Acid
9UB

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.541
Molar Refractivity: 163.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 3.49
ACD/LogD (pH 5.5): -2.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 519.1±5.0 cm3

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