Basic information
- CAS
118373-82-3- Standard SMILES
CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O- InChIKey
CHSINQSLUWRGER-UHFFFAOYSA-N- Molecular formula
- C60H65Cl2N9O19
- Average molar mass
- 1,287.1 g/mol
- Monoisotopic mass
- 1,285.3773763
Overview
structure given in first source; isolated from Amycolatosis orientalis
Names & identifiers
- Preferred name
- Chloroorienticin C
- IUPAC
- 2-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-18,32,35,37,48-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
- English name
- chloroorienticin C
- Molecular formula
- C60H65Cl2N9O19
- Molecular weight
- 1287.11
Names & synonyms
Chloroorienticin C118373-82-3RefChem:125461Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-14-O-de(2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-beta-D-glucopyranosyl)-Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)-44-O-de[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-α-L-lyxo-hexopyranosyl)-β-D-glucopyranosyl]-
Database identifiers
- CAS
118373-82-3- PubChem CID
- 3082913
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 451 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 10
- Heavy atoms
- 90
- Formal charge
- 0
- Complexity
- 2,620
Chemistry & industry
Suppliers1 total
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…