chempirical

Fungizone

C47H73NO17CAS 1397-89-3924.09 g/mol

Open in Covalent MOL file
HOOOOHNH2HOOHOOHOHOHHOHOOOOHOOH
AcetalAlcoholAlkeneCarboxylic acidEsterEtherLactonePrimary amine

Properties

Molecular formula
C47H73NO17
Molar mass
924.09 g/mol
Exact mass
923.4878 Da
Melting point
above 170 °C (decomposes)
logP
0.71Crippen estimate
Polar surface area
319.6 Ų
H-bond donors / acceptors
12 / 17
Rotatable bonds
3
Stereocentres
R, R, S, R, R, R, S, S, S, S, R, S, R, R, R, R, S, S, Rin SMILES atom order
Double bonds
E, E, E, E, E, E, EE/Z, in SMILES order

Identifiers

CAS number
1397-89-3
SMILES
C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)O
InChIKey
APKFDSVGJQXUKY-INPOYWNPSA-N
InChI
InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

17 names · show all
  • Amphotericin B
  • 14,39-Dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid, 33-[(3-amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-, (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-
  • Fungilin
  • Ampho-moronal
  • (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-Amino-3,6-dideoxy-β-D-mannopyranosyl)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
  • AmBisome
  • NS 718
  • Abelcet
  • LNS-AmB
  • Halizon
  • Amphozone
  • Amphocin
  • NSC 527017
  • Fungizona
  • Abelecet
  • Kalsome 10
  • Apothecon

Work with Fungizone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Natamycin7681-93-862 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook