Chryscandin
Basic information
- CAS
86936-90-5- Standard SMILES
COc1ccc(C[C@H](N)C(=O)N[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2C(=O)O)cc1- InChIKey
TXYMIIPGRTXESZ-JDZCFQESSA-N- Molecular formula
- C20H23N7O6
- Average molar mass
- 457.4 g/mol
- Monoisotopic mass
- 457.17098148
Overview
Chryscandin has been reported in Pseudogymnoascus pannorum with data available.
Names & identifiers
- Preferred name
- Chryscandin
- IUPAC
- (2S,3S,4R,5R)-3-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid
- English name
- Chryscandin
- Molecular formula
- C20H23N7O6
- Molecular weight
- 457.445
Names & synonyms
Chryscandin86936-90-5W9BY579JEWFR-48736(2S,3S,4R,5R)-3-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acidbeta-D-Ribofuranuronic acid, 3-((2-amino-3-(4-methoxyphenyl)-1-oxopropyl)amino)-1-(6-amino-9H-purin-9-yl)-1,3-dideoxy-, (S)-(2S,3S,4R,5R)-3-(((2S)-2-amino-3-(4-methoxyphenyl)propanoyl)amino)-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acidbeta-D-Ribofuranuronic acid, 3-[[2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-1-(6-amino-9H-purin-9-yl)-1,3-dideoxy-, (S)-RefChem:125961SCHEMBL10886296DTXSID901007193(2S,3S,4R,5R)-3-((S)-2-Amino-3-(4-methoxyphenyl)propanamido)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydrofuran-2-carboxylic acid
Show more names
(2S,3S,4R,5R)-3-((S)-2-Amino-3-(4-methoxyphenyl)propanamido)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydrofuran-2-carboxylicacid(2S,3S,4R,5R)-3-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid3',5'-Dideoxy-5'-carboxy-3'-[[[2-(4-methoxyphenyl)- 1-L-aminoethyl]carbonyl]amino]adenosine3-[[(2S)-2-Amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-1-(6-amino-9H-purin-9-yl)-1,3-dideoxy-beta-D-ribofuranuronic acid9-(3-{[(2S)-2-Amino-1-hydroxy-3-(4-methoxyphenyl)propylidene]amino}-3-deoxy-beta-D-ribofuranuronosyl)-9H-purin-6-amine9-(3-{[2-Amino-1-hydroxy-3-(4-methoxyphenyl)propylidene]amino}-3-deoxypentofuranuronosyl)-9H-purin-6-aminebeta-D-Ribofuranuronic acid, 3-[[(2S)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-1-(6-amino-9H-purin-9-yl)-1,3-dideoxy-
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 708
Chemistry & industry
Applications
DescriptionChryscandin is a novel antifungal antibiotic, produced by Chrysosporium pannorum. It is isolated from Chrysosporium pannorum; active against Candida albicans and gram-positive bacteria.
Related reactions
0 records
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Compound notes
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