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Chemical structure of Dalbavancin

GC19115

Dalbavancin

Also known as (2S,3S,4R,5R,6S)-6-[[(1S,2R,19R,22R,34S,37R,40R,52S)-5,32-dichloro-52-[3-(dimethylamino)propylcarbamoyl]-2,26,31,44,49-pentahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-47-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14(63),15,17(62),23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,65-henicosaen-64-yl]oxy]-3,4-dihydroxy-5-(10-methylundecanoylamino)oxane-2-carboxylic acid

Dalbavancin is a lipoglycopeptide antibiotic agent that is active against gram-positive pathogens

ChemicalCAS171500-79-1MW1816.69FormulaC88H100Cl2N10O28
CAS number
171500-79-1
Molecular weight
1816.69
Formula
C88H100Cl2N10O28
Solubility
DMSO ： ≥ 24 mg/mL (13·21 mM)
InChIKey
KGPGQDLTDHGEGT-SZUNQUCBSA-N
Catalogue number
GC19115
Brand
GLPBIO
Computed properties PubChem CID 16134627 · XLogP 3.8 · TPSA 573 Ų · H-bond donors 21
XLogP
3.8
TPSA
573 Ų
H-bond donors
21
H-bond acceptors
30
Rotatable bonds
22
Heavy atoms
128

SMILES CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]1C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N[C@H](CC2=CC=C(O3)C=C2)C(=O)N1)NC)O)O)Cl)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O

Computed descriptors from PubChem (CID 16134627), 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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Pricing
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Documents
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