ChemSpider 2D Image | Fluderma | C29H38ClFO8

Fluderma

  • Molecular FormulaC29H38ClFO8
  • Average mass569.059 Da
  • Monoisotopic mass568.223938 Da
  • ChemSpider ID254985
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-2-(2-Chlorethoxy)-4b-fluor-12-formyl-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,9a,10,10a,10b,11-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol- 6b-yl]-2-oxoethyl-acetat [German] [ACD/IUPAC Name]
2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-2-(2-Chloroethoxy)-4b-fluoro-12-formyl-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,9a,10,10a,10b,11-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxo l-6b-yl]-2-oxoethyl acetate [ACD/IUPAC Name]
2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-2-(2-Chloroethoxy)-4b-fluoro-12-formyl-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,9a,10,10a,10b,11-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetate
21-(Acetyloxy)-3-(2-chloroethoxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-20-oxopregna-3,5-diene-6-carboxaldehyde
220-584-2 [EINECS]
2825-60-7 [RN]
3-(2-Chloroethoxy)-6-formyl-9a-fluoropregna-3,5-diene-11b,16a,17,21-tetrol-20-one 21-Acetate 16a,17a-Acetonide
3-(2-Chloroethoxy)-9a-fluoro-6-formyl-11b,21-dihydroxy-16a,17a-isopropylidenedioxypregna-3,5-dien-20-one
3-(2-Chloroethoxy)-9-fluoro-11b,16a,17,21-tetrahydroxy-20-oxopregna-3,5-diene-6-carboxaldehyde Cyclic 16,17-Acetal with Acetone 21-Acetate
3-(2-Chloroethoxy)-9α-fluoro-6-formyl-11β,21-dihydroxy-16α,17α-isopropylidenedioxypregna-3,5-dien-20-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

FI 6341 [DBID]
NCI60_001051 [DBID]
NSC 150527 [DBID]
NSC150527 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 683.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.7±6.0 kJ/mol
Flash Point: 367.3±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 139.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 374.90
ACD/KOC (pH 5.5): 2421.09
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 374.90
ACD/KOC (pH 7.4): 2421.08
Polar Surface Area: 108 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 427.8±5.0 cm3

Click to predict properties on the Chemicalize site


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