2,4-Bis(carbamimidoylamino)-5-{[5-deoxy-3-C-(hydroxymethyl)pentofuranosyl]oxy}-3,6-dihydroxycyclohexyl dihydrogen phosphate
Basic information
- CAS
59719-49-2- Standard SMILES
CC1OC(OC2C(O)C(OP(=O)(O)O)C(N=C(N)N)C(O)C2N=C(N)N)C(O)C1(O)CO- InChIKey
RUBKAAVMXLSLAZ-UHFFFAOYSA-N- Molecular formula
- C14H29N6O11P
- Average molar mass
- 488.39 g/mol
- Monoisotopic mass
- 488.16319276
Names & identifiers
- Preferred name
- 2,4-Bis(carbamimidoylamino)-5-{[5-deoxy-3-C-(hydroxymethyl)pentofuranosyl]oxy}-3,6-dihydroxycyclohexyl dihydrogen phosphate
- IUPAC
- [2,4-bis(diaminomethylideneamino)-5-[3,4-dihydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,6-dihydroxycyclohexyl] dihydrogen phosphate
Names & synonyms
DTXSID609751242,4-Bis(carbamimidoylamino)-5-{[5-deoxy-3-C-(hydroxymethyl)pentofuranosyl]oxy}-3,6-dihydroxycyclohexyl dihydrogen phosphate2,4-Dicarbamimidamido-5-{[5-deoxy-3-C-(hydroxymethyl)pentofuranosyl]oxy}-3,6-dihydroxycyclohexyl dihydrogen phosphate
Database identifiers
- CAS
59719-49-2- PubChem CID
- 194086
- DTXSID
DTXSID60975124
Properties
Computed structural properties
- XLogP
- -7.4
- Topological polar surface area
- 315 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 774
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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