Found 1 result

Search term: 4944401 (Found by CSID)
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 3,6-dideoxy-3-(dimethylamino)-4-O-[(2R,5R,6S)-5-hydroxy-6-methyltetrahydro-2H-pyra n-2-yl]hexopyranoside | C37H61NO12

(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 3,6-dideoxy-3-(dimethylamino)-4-O-[(2R,5R,6S)-5-hydroxy-6-methyltetrahydro-2H-pyra n-2-yl]hexopyranoside

  • Molecular FormulaC37H61NO12
  • Average mass711.880 Da
  • Monoisotopic mass711.419373 Da
  • ChemSpider ID4944401

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 17 defined stereocentres

More details:

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 3,6-dideoxy-3-(dimethylamino)-4-O-[(2R,5R,6S)-5-hydroxy-6-methyltetrahydro-2H-pyra n-2-yl]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-3,6-didesoxy-3-(dimethylamino)-4-O-[(2R,5R,6S)-5-hydroxy-6-methyltetrahydro-2H-pyr an-2-yl]hexopyranosid [German] [ACD/IUPAC Name]
3,6-Didésoxy-3-(diméthylamino)-4-O-[(2R,5R,6S)-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]hexopyranoside de (14E)-3-éthyl-7-hydroxy-2,8,12,16-tétraméthyl-5,13-dioxo-10-(2-oxoéthyl)-4,17-dioxabicyclo[1 4.1.0]heptadéc-14-én-9-yle [French] [ACD/IUPAC Name]
4,17-Dioxabicyclo[14.1.0]heptadec-14-ene-10-acetaldehyde, 9-[[3,6-dideoxy-3-(dimethylamino)-4-O-[(2R,5R,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]hexopyranosyl]oxy]-3-ethyl-7-hydroxy-2,8,12,16-t etramethyl-5,13-dioxo-, (14E)- [ACD/Index Name]
120851-46-9 [RN]
Cirramycin A1, 4'-O-(tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-, (4'(2S,5R,6S))-
Cirramycin F2
Cirramycin F-2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 843.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.3±6.0 kJ/mol
Flash Point: 463.7±34.3 °C
Index of Refraction: 1.544
Molar Refractivity: 184.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.77
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 10.82
ACD/KOC (pH 7.4): 162.19
Polar Surface Area: 174 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 584.0±5.0 cm3

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