Found 99 results

Search term: MF = 'C_{16}H_{27}NO_{8}'
ChemSpider 2D Image | (1R,4xi)-4-O-Acetyl-2,5-dideoxy-1,3-O-isopropylidene-1-C-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-5-nitro-D-glycero-pentitol | C16H27NO8

(1R,4ξ)-4-O-Acetyl-2,5-dideoxy-1,3-O-isopropylidene-1-C-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-5-nitro-D-glycero-pentitol

  • Molecular FormulaC16H27NO8
  • Average mass361.388 Da
  • Monoisotopic mass361.173676 Da
  • ChemSpider ID34970644

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1R,4ξ)-4-O-Acetyl-2,5-dideoxy-1,3-O-isopropylidene-1-C-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-5-nitro-D-glycero-pentitol [ACD/IUPAC Name]
(1R,4ξ)-4-O-Acetyl-2,5-didesoxy-1,3-O-isopropyliden-1-C-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-5-nitro-D-glycero-pentitol [German] [ACD/IUPAC Name]
(1R,4ξ)-4-O-Acétyl-2,5-didésoxy-1,3-O-isopropylidène-1-C-{2-[(2-méthyl-2-propanyl)oxy]-2-oxoéthyl}-5-nitro-D-glycéro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Heptonic acid, 2,4,7-trideoxy-3,5-O-(1-methylethylidene)-7-nitro-, 1,1-dimethylethyl ester, 6-acetate, (6ξ)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 423.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 147.1±26.5 °C
Index of Refraction: 1.457
Molar Refractivity: 86.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.33
ACD/KOC (pH 5.5): 390.11
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 20.25
ACD/KOC (pH 7.4): 269.32
Polar Surface Area: 117 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 319.0±3.0 cm3

Click to predict properties on the Chemicalize site


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