[(2R,3S,5R,6S)-4-azaniumyl-2,3,5,6-tetrahydroxycyclohexyl] phosphate

C6H13NO8P- — CID 25243876

IUPAC[(2R,3S,5R,6S)-4-azaniumyl-2,3,5,6-tetrahydroxycyclohexyl] phosphate
SMILES[NH3+]C1[C@@H](O)[C@H](O)C(OP(=O)([O-])[O-])[C@H](O)[C@H]1O
InChIInChI=1S/C6H14NO8P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-6,8-11H,7H2,(H2,12,13,14)/p-1/t1?,2-,3+,4+,5-,6?
InChIKeyAYESCHMRXGYEFV-UYSNGIAKSA-M
MW258.14 g/mol
LogP-5.73
Rot. Bonds2

About [(2R,3S,5R,6S)-4-azaniumyl-2,3,5,6-tetrahydroxycyclohexyl] phosphate

[(2R,3S,5R,6S)-4-azaniumyl-2,3,5,6-tetrahydroxycyclohexyl] phosphate (PubChem CID 25243876) has the molecular formula C6H13NO8P- and a molecular weight of 258.14 g/mol. Its IUPAC name is [(2R,3S,5R,6S)-4-azaniumyl-2,3,5,6-tetrahydroxycyclohexyl] phosphate.

Molecular Properties

Compound Name[(2R,3S,5R,6S)-4-azaniumyl-2,3,5,6-tetrahydroxycyclohexyl] phosphate
PubChem CID25243876
Molecular FormulaC6H13NO8P-
Molecular Weight258.14 g/mol
Exact Mass258.04
IUPAC Name[(2R,3S,5R,6S)-4-azaniumyl-2,3,5,6-tetrahydroxycyclohexyl] phosphate
SMILES[NH3+]C1[C@@H](O)[C@H](O)C(OP(=O)([O-])[O-])[C@H](O)[C@H]1O
InChIInChI=1S/C6H14NO8P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-6,8-11H,7H2,(H2,12,13,14)/p-1/t1?,2-,3+,4+,5-,6?
InChIKeyAYESCHMRXGYEFV-UYSNGIAKSA-M
XLogP-5.73
TPSA180.98 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 5-5.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R,6S)-4-azaniumyl-2,3,5,6-tetrahydroxycyclohexyl] phosphate?
The IUPAC name of [(2R,3S,5R,6S)-4-azaniumyl-2,3,5,6-tetrahydroxycyclohexyl] phosphate (CID 25243876) is [(2R,3S,5R,6S)-4-azaniumyl-2,3,5,6-tetrahydroxycyclohexyl] phosphate.
What is the SMILES notation for [(2R,3S,5R,6S)-4-azaniumyl-2,3,5,6-tetrahydroxycyclohexyl] phosphate?
The canonical SMILES for [(2R,3S,5R,6S)-4-azaniumyl-2,3,5,6-tetrahydroxycyclohexyl] phosphate is [NH3+]C1[C@@H](O)[C@H](O)C(OP(=O)([O-])[O-])[C@H](O)[C@H]1O.
What is the InChIKey of [(2R,3S,5R,6S)-4-azaniumyl-2,3,5,6-tetrahydroxycyclohexyl] phosphate?
The InChIKey is AYESCHMRXGYEFV-UYSNGIAKSA-M. The full InChI is InChI=1S/C6H14NO8P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-6,8-11H,7H2,(H2,12,13,14)/p-1/t1?,2-,3+,4+,5-,6?.
What are the key properties of [(2R,3S,5R,6S)-4-azaniumyl-2,3,5,6-tetrahydroxycyclohexyl] phosphate?
[(2R,3S,5R,6S)-4-azaniumyl-2,3,5,6-tetrahydroxycyclohexyl] phosphate has a molecular weight of 258.14 g/mol, XLogP of -5.73, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R,6S)-4-azaniumyl-2,3,5,6-tetrahydroxycyclohexyl] phosphate is sourced from PubChem (CID 25243876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).