Found 48 results

Search term: MF = 'C_{16}H_{30}O_{7}'
ChemSpider 2D Image | bhas#16 | C16H30O7

bhas#16

  • Molecular FormulaC16H30O7
  • Average mass334.405 Da
  • Monoisotopic mass334.199158 Da
  • ChemSpider ID31150749

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3R,9R)-9-[(3,6-Dideoxy-α-L-arabino-hexopyranosyl)oxy]-3-hydroxydecanoic acid [ACD/IUPAC Name]
(3R,9R)-9-[(3,6-Didesoxy-α-L-arabino-hexopyranosyl)oxy]-3-hydroxydecansäure [German] [ACD/IUPAC Name]
1355682-50-6 [RN]
Acide (3R,9R)-9-[(3,6-didésoxy-α-L-arabino-hexopyranosyl)oxy]-3-hydroxydécanoïque [French] [ACD/IUPAC Name]
bhas#16
Decanoic acid, 9-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-3-hydroxy-, (3R,9R)- [ACD/Index Name]
3R-hydroxy-9R-(3,6-dideoxy-α-L-arabino-hexopyranosyloxy)-decanoic acid
3R-hydroxy-9R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-decanoic acid
  • Miscellaneous

    • Chemical Class:

      An (<locant>omega</locant><minus/>1)-hydroxy fatty acid ascaroside that is ascr#16 in which the <ital>pro</ital>-<stereo>R</stereo> hydrogen that is <locant>beta</locant> to the carboxy group is repla ced by a hydroxy group. It is a metabolite of the nematode <ital>Caenorhabditis elegans</ital>. ChEBI CHEBI:79227
      An (omega-1)-hydroxy fatty acid ascaroside that is ascr#16 in which the pro-R hydrogen that is beta to the carboxy group is repla; ced by a hydroxy group. It is a metabolite of the nematode Caenorhabd itis elegans. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:79227
      An (omega-1)-hydroxy fatty acid ascaroside that is ascr#16 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabdit is elegans. ChEBI CHEBI:79227

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

Density: 1.2±0.1 g/cm3
Boiling Point: 553.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.9±6.0 kJ/mol
Flash Point: 197.1±23.6 °C
Index of Refraction: 1.518
Molar Refractivity: 83.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.68
ACD/LogD (pH 7.4): -2.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 276.2±5.0 cm3

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