ChemSpider 2D Image | (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19Z,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-Amino-3,6-dideoxy-alpha-L-gulopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo(17,19,37-~ 13~C_3_)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid | C4413C3H73NO17

(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19Z,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-Amino-3,6-dideoxy-α-L-gulopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo(17,19,37- 13C3)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid

  • Molecular FormulaC4413C3H73NO17
  • Average mass927.057 Da
  • Monoisotopic mass926.497925 Da
  • ChemSpider ID8805000

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 19 of 19 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19Z,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-Amino-3,6-dideoxy-α-L-gulopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo(17,19,37- 13C3)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid [ACD/IUPAC Name]
(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19Z,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-Amino-3,6-didesoxy-α-L-gulopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo(17,19,37- 13C3)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-36-carbonsäure [German] [ACD/IUPAC Name]
14,39-Dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-17,19,37-13C3-36-carboxylic acid, 33-[(3-amino-3,6-dideoxy-α-L-gulopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18- trimethyl-13-oxo-, (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19Z,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)- [ACD/Index Name]
Acide (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19Z,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-didésoxy-α-L-gulopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-triméthyl-13-oxo(17, 19,37-13C3)-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaène-36-carboxylique [French] [ACD/IUPAC Name]

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: 1.614
Molar Refractivity: 240.2±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 95.2±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 689.4±5.0 cm3

Click to predict properties on the Chemicalize site


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