Basic information
- CAS
136365-26-9- Standard SMILES
CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(OC2OC(C)C(O)C(NCC(=O)C(O)C3OC(c4ccccc4)OCC3O)C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O- InChIKey
YYVJNIYMABZJJH-JUDDJSFDSA-N- Molecular formula
- C60H87NO22
- Average molar mass
- 1,174.3 g/mol
- Monoisotopic mass
- 1,173.5719734
Names & identifiers
- Preferred name
- Amphotericin B, N-(1-deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)-
- IUPAC
- (19E,21E,23E,25E,27E,29E,31E)-33-[3,5-dihydroxy-4-[[3-hydroxy-3-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)-2-oxopropyl]amino]-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
Names & synonyms
Amphotericin B, N-(1-deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)-136365-26-9RefChem:1076950N-(1-Deoxy-4,6-O-benzylidene-D-fructos-1-yl)amphotericin BN-(1-Deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)amphotericin B
Database identifiers
- CAS
136365-26-9- PubChem CID
- 6449385
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 382 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 9
- Heavy atoms
- 83
- Formal charge
- 0
- Complexity
- 2,200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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