[(2R,3S)-5-amino-2-hydroxy-1-phosphonooxypentan-3-yl] dihydrogen phosphate

C5H15NO9P2 — CID 162640233

IUPAC[(2R,3S)-5-amino-2-hydroxy-1-phosphonooxypentan-3-yl] dihydrogen phosphate
SMILESNCC[C@H](OP(=O)(O)O)[C@H](O)COP(=O)(O)O
InChIInChI=1S/C5H15NO9P2/c6-2-1-5(15-17(11,12)13)4(7)3-14-16(8,9)10/h4-5,7H,1-3,6H2,(H2,8,9,10)(H2,11,12,13)/t4-,5+/m1/s1
InChIKeyFQCPVOXKGFRLOB-UHNVWZDZSA-N
MW295.12 g/mol
LogP-1.72
Rot. Bonds8

About [(2R,3S)-5-amino-2-hydroxy-1-phosphonooxypentan-3-yl] dihydrogen phosphate

[(2R,3S)-5-amino-2-hydroxy-1-phosphonooxypentan-3-yl] dihydrogen phosphate (PubChem CID 162640233) has the molecular formula C5H15NO9P2 and a molecular weight of 295.12 g/mol. Its IUPAC name is [(2R,3S)-5-amino-2-hydroxy-1-phosphonooxypentan-3-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3S)-5-amino-2-hydroxy-1-phosphonooxypentan-3-yl] dihydrogen phosphate
PubChem CID162640233
Molecular FormulaC5H15NO9P2
Molecular Weight295.12 g/mol
Exact Mass295.02
IUPAC Name[(2R,3S)-5-amino-2-hydroxy-1-phosphonooxypentan-3-yl] dihydrogen phosphate
SMILESNCC[C@H](OP(=O)(O)O)[C@H](O)COP(=O)(O)O
InChIInChI=1S/C5H15NO9P2/c6-2-1-5(15-17(11,12)13)4(7)3-14-16(8,9)10/h4-5,7H,1-3,6H2,(H2,8,9,10)(H2,11,12,13)/t4-,5+/m1/s1
InChIKeyFQCPVOXKGFRLOB-UHNVWZDZSA-N
XLogP-1.72
TPSA179.77 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.12
LogP ≤ 5-1.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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)-5-amino-2-hydroxy-1-phosphonooxypentan-3-yl] dihydrogen phosphate?
The IUPAC name of [(2R,3S)-5-amino-2-hydroxy-1-phosphonooxypentan-3-yl] dihydrogen phosphate (CID 162640233) is [(2R,3S)-5-amino-2-hydroxy-1-phosphonooxypentan-3-yl] dihydrogen phosphate.
What is the SMILES notation for [(2R,3S)-5-amino-2-hydroxy-1-phosphonooxypentan-3-yl] dihydrogen phosphate?
The canonical SMILES for [(2R,3S)-5-amino-2-hydroxy-1-phosphonooxypentan-3-yl] dihydrogen phosphate is NCC[C@H](OP(=O)(O)O)[C@H](O)COP(=O)(O)O.
What is the InChIKey of [(2R,3S)-5-amino-2-hydroxy-1-phosphonooxypentan-3-yl] dihydrogen phosphate?
The InChIKey is FQCPVOXKGFRLOB-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H15NO9P2/c6-2-1-5(15-17(11,12)13)4(7)3-14-16(8,9)10/h4-5,7H,1-3,6H2,(H2,8,9,10)(H2,11,12,13)/t4-,5+/m1/s1.
What are the key properties of [(2R,3S)-5-amino-2-hydroxy-1-phosphonooxypentan-3-yl] dihydrogen phosphate?
[(2R,3S)-5-amino-2-hydroxy-1-phosphonooxypentan-3-yl] dihydrogen phosphate has a molecular weight of 295.12 g/mol, XLogP of -1.72, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-5-amino-2-hydroxy-1-phosphonooxypentan-3-yl] dihydrogen phosphate is sourced from PubChem (CID 162640233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).