[(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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Related Compounds

CID 174319424
CID 174319424
[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 6993211
[(1S,3S,5R)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methyl dihydrogen phosphate
CID 134176711
oxiran-2-ylmethyl dihydrogen phosphate;2-propyloxirane
CID 118412815
[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 146511040
acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane
CID 169190106
[(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
CID 155703606
(5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane
CID 58640883
cyclohexylmethyl dihydrogen phosphate
CID 14982025
[hydroxy(phosphonooxy)phosphoryl]oxy-[(5-methyloxolan-2-yl)methoxy]-oxophosphanium
CID 154937620
(3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate
CID 23594182
[4-hydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
CID 78302111

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).