ChemSpider 2D Image | Polyoxin A | C23H32N6O14

Polyoxin A

  • Molecular FormulaC23H32N6O14
  • Average mass616.532 Da
  • Monoisotopic mass616.197632 Da
  • ChemSpider ID4945194
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres


More details:



Featured data source



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

(2S,3Z)-1-[(2S)-2-{[(2S,3S,4S)-2-Amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}-2-{(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tetrahydro-2-furanyl}a cetyl]-3-ethyliden-2-azetidincarbonsäure [German] [ACD/IUPAC Name]
(2S,3Z)-1-[(2S)-2-{[(2S,3S,4S)-2-Amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}-2-{(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tetrahydro-2-furanyl}a cetyl]-3-ethyliden-2-azetidincarbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3Z)-1-[(2S)-2-{[(2S,3S,4S)-2-Amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}-2-{(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tetrahydro-2-furanyl}a cetyl]-3-ethylidene-2-azetidinecarboxylic acid [ACD/IUPAC Name]
(2S,3Z)-1-[(2S)-2-{[(2S,3S,4S)-2-Amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}-2-{(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tetrahydro-2-furanyl}a cetyl]-3-ethylidene-2-azetidinecarboxylic acid (non-preferred name) [ACD/IUPAC Name]
19396-03-3 [RN]
Acide (2S,3Z)-1-[(2S)-2-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}-2-{(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxyméthyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tétrahydro-2-fur anyl}acétyl]-3-éthylidène-2-azétidinecarboxylique [French] [ACD/IUPAC Name]
Acide (2S,3Z)-1-[(2S)-2-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}-2-{(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxyméthyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tétrahydro-2-fur anyl}acétyl]-3-éthylidène-2-azétidinecarboxylique (non-preferred name) [French] [ACD/IUPAC Name]
Polyoxin A
(2S,3Z)-1-[(2S)-2-[(2S,3S,4S)-2-AMINO-5-(CARBAMOYLOXY)-3,4-DIHYDROXYPENTANAMIDO]-2-[(2R,3S,4R,5R)-3,4-DIHYDROXY-5-[5-(HYDROXYMETHYL)-2,4-DIOXO-3H-PYRIMIDIN-1-YL]OXOLAN-2-YL]ACETYL]-3-ETHYLIDENEAZETIDINE-2-CARBOXYLIC ACID
(S-(E))-1-(5-((2-Amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl)amino)-1,5-dideoxy-1-(3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl)-β-D-allofuranuronoyl)-3-ethylidene-2- azetidinecarboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

FGY211ZGNZ [DBID]
UNII:FGY211ZGNZ [DBID]
UNII-FGY211ZGNZ [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.708
Molar Refractivity: 137.5±0.3 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -5.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 325 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 115.1±3.0 dyne/cm
Molar Volume: 352.5±3.0 cm3

Click to predict properties on the Chemicalize site






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