Found 21 results

Search term: MF = 'C_{33}H_{39}N_{3}O_{8}S'
ChemSpider 2D Image | 2-[({(2R,4R,6S)-2-[4-({[8-(Hydroxyamino)-8-oxooctanoyl]amino}methyl)phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl}methyl)sulfanyl]nicotinic acid | C33H39N3O8S

2-[({(2R,4R,6S)-2-[4-({[8-(Hydroxyamino)-8-oxooctanoyl]amino}methyl)phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl}methyl)sulfanyl]nicotinic acid

  • Molecular FormulaC33H39N3O8S
  • Average mass637.743 Da
  • Monoisotopic mass637.245789 Da
  • ChemSpider ID5106533

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-[({(2R,4R,6S)-2-[4-({[8-(Hydroxyamino)-8-oxooctanoyl]amino}methyl)phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl}methyl)sulfanyl]nicotinic acid [ACD/IUPAC Name]
2-[({(2R,4R,6S)-2-[4-({[8-(Hydroxyamino)-8-oxooctanoyl]amino}methyl)phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl}methyl)sulfanyl]nicotinsäure [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-[[[(2R,4R,6S)-2-[4-[[[8-(hydroxyamino)-1,8-dioxooctyl]amino]methyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methyl]thio]- [ACD/Index Name]
Acide 2-[({(2R,4R,6S)-2-[4-({[8-(hydroxyamino)-8-oxooctanoyl]amino}méthyl)phényl]-6-[4-(hydroxyméthyl)phényl]-1,3-dioxan-4-yl}méthyl)sulfanyl]nicotinique [French] [ACD/IUPAC Name]
DIOX-H_002123

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 169.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 2.22
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.54
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 193 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 466.2±5.0 cm3

Click to predict properties on the Chemicalize site


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