Basic information
- CAS
80451-74-7- Standard SMILES
NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)CCC3N)C2O)C(N)C(O)C1O- InChIKey
KEWBPXDTCLTDNZ-UHFFFAOYSA-N- Molecular formula
- C23H45N5O12
- Average molar mass
- 583.6 g/mol
- Monoisotopic mass
- 583.30647189
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3',4'-Dideoxyparomomycin
- IUPAC
- 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
- English name
- 3',4'-dideoxyparomomycin
- Molecular formula
- C23H45N5O12
- Molecular weight
- 583.63
Names & synonyms
3',4'-Dideoxyparomomycin80451-74-7RefChem:902255-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diolDTXSID5010012484,6-Diamino-2-{[3-O-(2,6-diamino-2,6-dideoxyhexopyranosyl)pentofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2,3,4-trideoxyhexopyranosideD-Streptamine, O-2-amino-2,3,4-trideoxy-alpha-D-erythro-hexopyranosyl-(1-4)-O-(O-2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl-(1-3)-beta-D-ribofuranosyl-(1-5))-2-deoxy-D-Streptamine, O-2,6-diamino-2,6-dideoxy-β-L-idopyranosyl-(1→3)-O-β-D-ribofuranosyl-(1→5)-O-[2-amino-2,3,4-trideoxy-α-D-erythro-hexopyranosyl-(1→4)]-2-deoxy-
Database identifiers
- CAS
80451-74-7- PubChem CID
- 196166
- DTXSID
DTXSID501001248
Properties
Computed structural properties
- XLogP
- -7.3
- Topological polar surface area
- 307 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 807
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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