Basic information
- Standard SMILES
CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)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
APKFDSVGJQXUKY-UHFFFAOYSA-N- Molecular formula
- C47H73NO17
- Average molar mass
- 924.1 g/mol
- Monoisotopic mass
- 923.48784986
Overview
See also: Amphotericin B (annotation moved to); Phthalylsulfacetamide (annotation moved to); Amphocil (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- 33-((3-Amino-3,6-dideoxyhexopyranosyl)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
- IUPAC
- 33-(4-amino-3,5-dihydroxy-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
DTXSID6085963233-((3-Amino-3,6-dideoxyhexopyranosyl)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 acid33-((3-amino-3,6-dideoxyhexopyranosyl)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 acid33-[(3-Amino-3,6-dideoxyhexopyranosyl)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 acidRefChem:1068861DTXCID20809794AmbisomeMLS002702966SMR001566780Amphotericin-BAmphotericin B from Streptomyces sp.Amphotericin B (BM only)
Show more names
cid_1972Amphotericin B Impurity 23SCHEMBL5013941CHEMBL1700818BDBM83198Amphotericin B - Injection gradeHMS5079H04s1636
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 320 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 3
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 1,670
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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