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4,6-Diamino-3-((2-amino-2-deoxypentopyranosyl)oxy)-2-hydroxycyclohexyl 2-amino-2-deoxyhexopyranoside

HCID 3043876
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
56276-04-1
Standard SMILES
NC1CC(N)C(OC2OC(CO)C(O)C(O)C2N)C(O)C1OC1OCC(O)C(O)C1N
InChIKey
YNMRKGLUALDHIR-UHFFFAOYSA-N
Molecular formula
C17H34N4O10
Average molar mass
454.5 g/mol
Monoisotopic mass
454.22749329

Names & identifiers

Preferred name
4,6-Diamino-3-((2-amino-2-deoxypentopyranosyl)oxy)-2-hydroxycyclohexyl 2-amino-2-deoxyhexopyranoside
IUPAC
5-amino-6-[4,6-diamino-3-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
English name
4-O-(2-Amino-2-deoxy-α-D-glucopyranosyl)-6-O-(2-amino-2-deoxy-α-D-xylopyranosyl)-2-deoxy-D-streptamine
Molecular formula
C17H34N4O10
Molecular weight
454.47

Names & synonyms

DTXSID809717094,6-Diamino-3-((2-amino-2-deoxypentopyranosyl)oxy)-2-hydroxycyclohexyl 2-amino-2-deoxyhexopyranoside4,6-Diamino-3-[(2-amino-2-deoxypentopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2-deoxyhexopyranosideRefChem:1069477DTXCID601399208Seldomycin factor 156276-04-15-amino-6-[4,6-diamino-3-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diolAntibiotic XK 88-1XX-88-1XK 88-1D-Streptamine, O-2-amino-2-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(6-amino-2-deoxy-alpha-D-xylopyranosyl-(1-6))-2-deoxy-
Show more names
Seldomycin-1Seldomycin factor-14-O-(2-Amino-2-deoxy-α-D-glucopyranosyl)-6-O-(2-amino-2-deoxy-α-D-xylopyranosyl)-2-deoxy-D-streptamineD-Streptamine, O-2-amino-2-deoxy-α-D-glucopyranosyl-(1→4)-O-[2-amino-2-deoxy-α-D-xylopyranosyl-(1→6)]-2-deoxy-
orb3024245TN10676

Database identifiers

CAS
56276-04-1
PubChem CID
3043876
DTXSID
DTXSID80971709

Properties

Computed structural properties

XLogP
-6.9
Topological polar surface area
262 Ų
Hydrogen bond donors
10
Hydrogen bond acceptors
14
Rotatable bonds
5
Heavy atoms
31
Formal charge
0
Complexity
593

Physicochemical properties

Toxicity
50 intravenous · LD50 intravenous in mouse: > 1gm/kg

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Toxicity
LD50 intravenous in mouse: > 1gm/kg

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]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes