ChemSpider 2D Image | (4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-Ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-galactopyranoside | C31H51NO9

(4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-Ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-β-D-galactopyranoside

  • Molecular FormulaC31H51NO9
  • Average mass581.738 Da
  • Monoisotopic mass581.356384 Da
  • ChemSpider ID4953432

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-Ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-β-D-galactopyranoside [ACD/IUPAC Name]
(4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-Ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl-3,6-didesoxy-3-(dimethylamino)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
3,6-Didésoxy-3-(diméthylamino)-β-D-galactopyranoside de (4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-éthyl-4-hydroxy-5,9,13,15-tétraméthyl-2,10-dioxo-7-(2-oxoéthyl)oxacyclohexadéca-11,13-dién-6-yle [French] [ACD/IUPAC Name]
Oxacyclohexadeca-11,13-diene-7-acetaldehyde, 6-[[3,6-dideoxy-3-(dimethylamino)-β-D-galactopyranosyl]oxy]-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-, (4R,5S,6S,7R,9R,11E,13E,15S,16R)- [ACD/Index Name]
2-[(4R,5S,6S,7R,9R,11E,13E,15S,16R)-6-{[(2R,3R,4S,5R,6R)-4-(DIMETHYLAMINO)-3,5-DIHYDROXY-6-METHYLOXAN-2-YL]OXY}-16-ETHYL-4-HYDROXY-5,9,13,15-TETRAMETHYL-2,10-DIOXO-1-OXACYCLOHEXADECA-11,13-DIEN-7-YL]ACETALDEHYDE
23-Deoxy-5-O-mycaminosyltylonolide
50507-46-5 [RN]
Deepoxycirramycin A1

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

AIDS096193 [DBID]
AIDS-096193 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 760.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.4±6.0 kJ/mol
Flash Point: 414.0±32.9 °C
Index of Refraction: 1.535
Molar Refractivity: 155.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.23
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 7.97
ACD/KOC (pH 7.4): 125.25
Polar Surface Area: 143 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 498.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement