1,4-Diamino-1,4-dideoxy-3-O-(4-deoxy-4-((1-hydroxypropylidene)amino)hexopyranosyl)hexitol
Basic information
- CAS
60534-70-5- Standard SMILES
CCC(=O)NC1C(CO)OC(OC(C(O)CN)C(N)C(O)CO)C(O)C1O- InChIKey
JFNOZOIQSSNDRN-UHFFFAOYSA-N- Molecular formula
- C15H31N3O9
- Average molar mass
- 397.42 g/mol
- Monoisotopic mass
- 397.20602957
Names & identifiers
- Preferred name
- 1,4-Diamino-1,4-dideoxy-3-O-(4-deoxy-4-((1-hydroxypropylidene)amino)hexopyranosyl)hexitol
- IUPAC
- N-[6-(1,4-diamino-2,5,6-trihydroxyhexan-3-yl)oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]propanamide
- English name
- Antibiotic GIA1
- Molecular formula
- C15H31N3O9
- Molecular weight
- 397.43
Names & synonyms
DTXSID809759491,4-Diamino-1,4-dideoxy-3-O-(4-deoxy-4-((1-hydroxypropylidene)amino)hexopyranosyl)hexitol1,4-Diamino-1,4-dideoxy-3-O-{4-deoxy-4-[(1-hydroxypropylidene)amino]hexopyranosyl}hexitolRefChem:1053243DTXCID901403335Antibiotic gla1Antibiotic P 2563-IAntibiotic BN 186AAntibiotic P 2563PAntibiotic BU 2183AGL A1P 2563-I
Show more names
P2563-ISorbistin A1Antibiotic GIA1Antibiotic P-2563PAntibiotic P2563-IAntibiotic P-2563ID-Glucitol, 1,4-diamino-1,4-dideoxy-3-O-[4-deoxy-4-[(1-oxopropyl)amino]-α-D-glucopyranosyl]-
D-Glucitol, 1,4-diamino-1,4-dideoxy-3-O-(4-deoxy-4-((1-oxopropyl)amino)-alpha-D-glucopyranosyl)-
Database identifiers
- CAS
60534-70-5- PubChem CID
- 198409
Properties
Computed structural properties
- XLogP
- -5.3
- Topological polar surface area
- 221 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Melting point
- 105 · 105-115 °C (decomp)
- Boiling point
- 815.8 · 815.8±65.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 11.66 · 11.66±0.45(Predicted)
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Compound notes
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