UNII-WPS3TSW377
2-[(2S,3S,6R)-6-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3,6-dihydro-2H-pyran-2-yl]-5-(diaminomethylideneamino)-2,4-dihydroxypentanoic acid
Molecular Identity
UNII-WPS3TSW377
2-[(2S,3S,6R)-6-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3,6-dihydro-2H-pyran-2-yl]-5-(diaminomethylideneamino)-2,4-dihydroxypentanoic acid
PubChem CID: 12850205
2D Structure
Properties
C19H30N8O9
Molecular Formula
514.50
Molecular Weight
g/mol
514.2136
Exact Mass
Da
-8.1
XLogP
Drug-like (Lipinski: < 5)
306
TPSA
May have limited oral absorption
10
H-Bond Donors
11
H-Bond Acceptors
980
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(13)
UNII-WPS3TSW3772-[(2S,3S,6R)-6-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3,6-dihydro-2H-pyran-2-yl]-5-(diaminomethylideneamino)-2,4-dihydroxypentanoic acidMILAntibiotic B-98891MILDIOMYCIN [MI]B-98891ANTIBIOTIC B 98891HY-N10338DA-65463CS-0380739Q272927622(1H)-PYRIMIDINONE, 4-AMINO-1-(4-(((2S)-2-AMINO-3-HYDROXY-1-OXOPROPYL)AMINO)-9-((AMINOIMINOMETHYL)AMINO)-6-C-CARBOXY-2,3,4,7,9-PENTADEOXY-.ALPHA.-L-TALO-NON-2-ENOPYRANOSYL)-5-(HYDROXYMETHYL)-2(1H)-Pyrimidinone, 4-amino-1-(4-((2-amino-3-hydroxy-1-oxopropyl)amino)-9-((aminoiminomethyl)amino)-6-C-carboxy-2,3,4,7,9-pentadeoxy-alpha-L-talo-non-2-enopyranosyl)-5-(hydroxymethyl)-, (S)-
Data from PubChem (NCBI)
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