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Chemical structure of Pneumocandin B0

GC13964

Pneumocandin B0

Also known as N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide

potent antifungal and inhibitor of ?-(1,3)-D-glucan synthesis

ChemicalCAS135575-42-7MW1065.21FormulaC50H80N8O17
CAS number
135575-42-7
Molecular weight
1065.21
Formula
C50H80N8O17
Solubility
DMSO ： 100 mg/mL (93·88 mM; Need ultrasonic)
InChIKey
DQXPFAADCTZLNL-ZESADUFFSA-N
Catalogue number
GC13964
Brand
GLPBIO
Computed properties PubChem CID 5742645 · XLogP 0.5 · TPSA 411 Ų · H-bond donors 15
XLogP
0.5
TPSA
411 Ų
H-bond donors
15
H-bond acceptors
17
Rotatable bonds
20
Heavy atoms
75

SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CC(=O)N)O)O)O)O

Computed descriptors from PubChem (CID 5742645), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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