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4,6-Diamino-3-((2,3-diamino-2,3-dideoxy-4-O-methylpentopyranosyl)oxy)-2-hydroxycyclohexyl 2,6-diamino-2,4,6-trideoxyhexopyranoside

HCID 3043877
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
56276-26-7
Standard SMILES
COC1COC(OC2C(N)CC(N)C(OC3OC(CN)CC(O)C3N)C2O)C(N)C1N
InChIKey
HJKXMQLJTKUBMG-UHFFFAOYSA-N
Molecular formula
C18H38N6O7
Average molar mass
450.5 g/mol
Monoisotopic mass
450.28019757

Names & identifiers

Preferred name
4,6-Diamino-3-((2,3-diamino-2,3-dideoxy-4-O-methylpentopyranosyl)oxy)-2-hydroxycyclohexyl 2,6-diamino-2,4,6-trideoxyhexopyranoside
IUPAC
3-amino-6-(aminomethyl)-2-[4,6-diamino-3-(3,4-diamino-5-methoxyoxan-2-yl)oxy-2-hydroxycyclohexyl]oxyoxan-4-ol
English name
6-O-(2,3-Diamino-4-O-methyl-2,3-dideoxy-α-D-xylopyranosyl)-4-O-(2,6-diamino-2,4,6-trideoxy-α-D-xylo-hexopyranosyl)-2-deoxy-D-streptamine
Molecular formula
C18H38N6O7
Molecular weight
450.53

Names & synonyms

DTXSID909717104,6-Diamino-3-((2,3-diamino-2,3-dideoxy-4-O-methylpentopyranosyl)oxy)-2-hydroxycyclohexyl 2,6-diamino-2,4,6-trideoxyhexopyranoside4,6-Diamino-3-[(2,3-diamino-2,3-dideoxy-4-O-methylpentopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,4,6-trideoxyhexopyranosideRefChem:1069476DTXCID30139920956276-26-7Seldomycin factor 5 trisulfate hexahydrateXK-88-5 trisulfate hexahydrateD-Streptamine, O-2,3-diamino-2,3-dideoxy-4-O-methyl-alpha-D-xylopyranosyl-(1-6)-O-(2,6-diamino-2,4,6-trideoxy-alpha-D-xylo-hexopyranosyl-(1-4))-2-deoxy-, trisulfate, hexahydrateorb3023162TN9895Seldomycin-5
Show more names
Seldomycin factor-56-O-(2,3-Diamino-4-O-methyl-2,3-dideoxy-α-D-xylopyranosyl)-4-O-(2,6-diamino-2,4,6-trideoxy-α-D-xylo-hexopyranosyl)-2-deoxy-D-streptamineD-Streptamine, O-2,3-diamino-2,3-dideoxy-4-O-methyl-α-D-xylopyranosyl-(1→6)-O-[2,6-diamino-2,4,6-trideoxy-α-D-xylo-hexopyranosyl-(1→4)]-2-deoxy- (9CI)

Database identifiers

CAS
56276-26-7
PubChem CID
3043877
DTXSID
DTXSID90971710

Properties

Computed structural properties

XLogP
-6.4
Topological polar surface area
243 Ų
Hydrogen bond donors
8
Hydrogen bond acceptors
13
Rotatable bonds
6
Heavy atoms
31
Formal charge
0
Complexity
580

Physicochemical properties

Boiling point
678.6 · 678.6±55.0 °C(Predicted)
Density
1.39 · 1.39±0.1 g/cm3(Predicted)
pka
13.43 · 13.43±0.70(Predicted)

Chemistry & industry

Suppliers2 total

TargetMol 中国(陶术生物)400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]

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Compound notes

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