[(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate

C6H14NO5P — CID 146511222

IUPAC[(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate
SMILESCN[C@H]1CC[C@@H](COP(=O)(O)O)O1
InChIInChI=1S/C6H14NO5P/c1-7-6-3-2-5(12-6)4-11-13(8,9)10/h5-7H,2-4H2,1H3,(H2,8,9,10)/t5-,6+/m0/s1
InChIKeyGAZQWLQFUTWPJD-NTSWFWBYSA-N
MW211.15 g/mol
LogP-0.18
Rot. Bonds4

About [(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate

[(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate (PubChem CID 146511222) has the molecular formula C6H14NO5P and a molecular weight of 211.15 g/mol. Its IUPAC name is [(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate
PubChem CID146511222
Molecular FormulaC6H14NO5P
Molecular Weight211.15 g/mol
Exact Mass211.06
IUPAC Name[(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate
SMILESCN[C@H]1CC[C@@H](COP(=O)(O)O)O1
InChIInChI=1S/C6H14NO5P/c1-7-6-3-2-5(12-6)4-11-13(8,9)10/h5-7H,2-4H2,1H3,(H2,8,9,10)/t5-,6+/m0/s1
InChIKeyGAZQWLQFUTWPJD-NTSWFWBYSA-N
XLogP-0.18
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate?
The IUPAC name of [(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate (CID 146511222) is [(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate?
The canonical SMILES for [(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate is CN[C@H]1CC[C@@H](COP(=O)(O)O)O1.
What is the InChIKey of [(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate?
The InChIKey is GAZQWLQFUTWPJD-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H14NO5P/c1-7-6-3-2-5(12-6)4-11-13(8,9)10/h5-7H,2-4H2,1H3,(H2,8,9,10)/t5-,6+/m0/s1.
What are the key properties of [(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate?
[(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate has a molecular weight of 211.15 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(methylamino)oxolan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 146511222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).