ChemSpider 2D Image | M 4365A2 | C31H51NO9

M 4365A2

  • Molecular FormulaC31H51NO9
  • Average mass581.738 Da
  • Monoisotopic mass581.356384 Da
  • ChemSpider ID16736170

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 13 defined stereocentres

More details:

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

(7R,8S,9S,10R,12R,14E,16S)-3-Ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
(7R,8S,9S,10R,12R,14E,16S)-3-Ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl-3,4,6-tridesoxy-3-(dimethylamino)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
252-742-1 [EINECS]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (7R,8S,9S,10R,12R,14E,16S)-3-éthyl-7-hydroxy-2,8,12,16-tétraméthyl-5,13-dioxo-10-(2-oxoéthyl)-4,17-dioxabicyclo[14.1.0]heptadéc-14-én-9- yle [French] [ACD/IUPAC Name]
35834-26-5 [RN]
4,17-Dioxabicyclo[14.1.0]heptadec-14-ene-10-acetaldehyde, 3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-9-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (7R,8S,9S,10R,12R,14E ,16S)- [ACD/Index Name]
4,17-dioxabicyclo[14.1.0]heptadec-14-ene-10-acetaldehyde, 3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-9-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (7R,8S,9S,10R,12R,14E,16S)-
4'-Deoxycirramycin A1
51481-64-2 [RN]
55103-30-5 [RN]
More...

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

Sch 14947 [DBID]
Sch 17894 [DBID]
Sch 18667 [DBID]
NSC 175150 [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: 734.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.4±6.0 kJ/mol
Flash Point: 398.1±32.9 °C
Index of Refraction: 1.533
Molar Refractivity: 153.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 3.22
ACD/KOC (pH 7.4): 49.38
Polar Surface Area: 135 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 495.3±5.0 cm3

Click to predict properties on the Chemicalize site


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