ChemSpider 2D Image | (2R)-2,4-Dihydroxy-N-[3-({2-[(6-hydroxy-2-oxo-2,3-dihydro-1H-naphtho[2,1-b][1,4]thiazin-5-yl)sulfanyl]ethyl}amino)-3-oxopropyl]-3,3-dimethylbutanamide | C23H29N3O6S2

(2R)-2,4-Dihydroxy-N-[3-({2-[(6-hydroxy-2-oxo-2,3-dihydro-1H-naphtho[2,1-b][1,4]thiazin-5-yl)sulfanyl]ethyl}amino)-3-oxopropyl]-3,3-dimethylbutanamide

  • Molecular FormulaC23H29N3O6S2
  • Average mass507.623 Da
  • Monoisotopic mass507.149780 Da
  • ChemSpider ID138865

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2,4-Dihydroxy-N-[3-({2-[(6-hydroxy-2-oxo-2,3-dihydro-1H-naphtho[2,1-b][1,4]thiazin-5-yl)sulfanyl]ethyl}amino)-3-oxopropyl]-3,3-dimethylbutanamid [German] [ACD/IUPAC Name]
(2R)-2,4-Dihydroxy-N-[3-({2-[(6-hydroxy-2-oxo-2,3-dihydro-1H-naphtho[2,1-b][1,4]thiazin-5-yl)sulfanyl]ethyl}amino)-3-oxopropyl]-3,3-dimethylbutanamide [ACD/IUPAC Name]
(2R)-2,4-Dihydroxy-N-[3-({2-[(6-hydroxy-2-oxo-2,3-dihydro-1H-naphto[2,1-b][1,4]thiazin-5-yl)sulfanyl]éthyl}amino)-3-oxopropyl]-3,3-diméthylbutanamide [French] [ACD/IUPAC Name]
Butanamide, N-[3-[[2-[(2,3-dihydro-6-hydroxy-2-oxo-1H-naphtho[2,1-b][1,4]thiazin-5-yl)thio]ethyl]amino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethyl-, (2R)- [ACD/Index Name]
(2R)-2,4-DIHYDROXY-N-(2-{[2-({6-HYDROXY-2-OXO-1H,2H,3H-NAPHTHO[2,1-B][1,4]THIAZIN-5-YL}SULFANYL)ETHYL]CARBAMOYL}ETHYL)-3,3-DIMETHYLBUTANAMIDE
(2R)-2,4-DIHYDROXY-N-(2-{[2-({6-HYDROXY-2-OXO-1H,3H-NAPHTHO[2,1-B][1,4]THIAZIN-5-YL}SULFANYL)ETHYL]CARBAMOYL}ETHYL)-3,3-DIMETHYLBUTANAMIDE
(2R)-2,4-dihydroxy-N-[3-[2-[(6-hydroxy-2-oxo-1H-benzo[f][1,4]benzothiazin-5-yl)sulfanyl]ethylamino]-3-oxopropyl]-3,3-dimethylbutanamide
(R)-N-(3-((2-((2,3-Dihydro-6-hydroxy-2-oxo-1H-naphtho(2,1-b)(1,4)thiazin-5-yl)thio)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
161162-21-6 [RN]
Butanamide, N-(3-((2-((2,3-dihydro-6-hydroxy-2-oxo-1H-naphtho(2,1-b)(1,4)thiazin-5-yl)thio)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethyl-, (R)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

FR 901537 [DBID]
FR-901537 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 897.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.7±3.0 kJ/mol
Flash Point: 496.5±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 134.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.52
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.85
ACD/KOC (pH 5.5): 178.35
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 5.51
ACD/KOC (pH 7.4): 99.71
Polar Surface Area: 199 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 79.7±5.0 dyne/cm
Molar Volume: 349.7±5.0 cm3

Click to predict properties on the Chemicalize site


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