Deprecated ChemSpider Record

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ChemSpider 2D Image | (14E)-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)hexopyranoside | C31H51NO9

(14E)-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)hexopyranoside

  • Molecular FormulaC31H51NO9
  • Average mass581.738 Da
  • Monoisotopic mass581.356384 Da
  • ChemSpider ID4510267
  • Double-bond stereo - Double-bond stereo

More details:

Date of deprecation: 16:50, Oct 14, 2016
Reason for deprecation: Deprecate record: no defined stereochemistry

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Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(14E)-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)hexopyranoside [ACD/IUPAC Name]
(14E)-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)hexopyranosid [German] [ACD/IUPAC Name]
3,4,6-Tridésoxy-3-(diméthylamino)hexopyranoside de (14E)-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]
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)hexopyranosyl]oxy]-, (14E)- [ACD/Index Name]
4'-Deoxycirramycin A(sub 1)
Antibiotic 67-694
Antibiotic M 4365A2
Cirramycin A(sub 1), 4'-deoxy-
Cirramycin A1, 4'-deoxy-

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

AIDS012562 [DBID]
AIDS-012562 [DBID]
NSC 175150 [DBID]
NSC175150 [DBID]
Sch 14947 [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