Chitinovorin C
Basic information
- CAS
95230-98-1- Standard SMILES
N[C@H](CCCC(=O)N[C@]1(NC=O)C(=O)N2C(C(=O)O)=C(CO)CS[C@@H]21)C(=O)O- InChIKey
RQPIYCBIFMMJEJ-KBOAJJQZSA-N- Molecular formula
- C15H20N4O8S
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 416.10018478
Overview
Chitinovorin C is a cephalosporin.
Names & identifiers
- Preferred name
- Chitinovorin C
- IUPAC
- (6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-formamido-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- English name
- chitinovorin C
- Molecular formula
- C15H20N4O8S
- Molecular weight
- 416.41
Names & synonyms
Chitinovorin CChitinovorin-C95230-98-1(6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-formamido-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((5-amino-5-carboxy-1-oxopentyl)amino)-7-(formylamino)-3-(hydroxymethyl)-8-oxo-, (6R-(6alpha,7beta(R*)))-(6R,7R)-7-(((5R)-5-amino-5-carboxypentanoyl)amino)-7-formamido-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acidRefChem:125234orb3024452SCHEMBL29557243DTXSID10915055CHEBI:224955HY-N14896
Show more names
(6R)-7α-[[(R)-5-Amino-5-carboxy-1-oxopentyl]amino]-7β-formylamino-3-hydroxymethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-7-(formylamino)-3-(hydroxymethyl)-8-oxo-, (6R,7R)-
TN10469(6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-ormamido-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-{[(5R)-5-Amino-5-carboxy-1-hydroxypentylidene]amino}-3-(hydroxymethyl)-7-[(hydroxymethylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid7-[(5-Amino-5-carboxy-1-hydroxypentylidene)amino]-3-(hydroxymethyl)-7-[(hydroxymethylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Properties
Computed structural properties
- XLogP
- -4.5
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 742
Physicochemical properties
- Boiling point
- 983 · 983.0±65.0 °C(Predicted)
- Density
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- pka
- 2.49 · 2.49±0.24(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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