[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid

C5H12NO7P — CID 57263867

IUPAC[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid
SMILESO=P(O)(O)NC1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H12NO7P/c7-1-2-3(8)4(9)5(13-2)6-14(10,11)12/h2-5,7-9H,1H2,(H3,6,10,11,12)/t2-,3-,4-,5?/m1/s1
InChIKeyJHENRZZWKKWSRZ-SOOFDHNKSA-N
MW229.12 g/mol
LogP-2.89
Rot. Bonds3

About [[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid

[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid (PubChem CID 57263867) has the molecular formula C5H12NO7P and a molecular weight of 229.12 g/mol. Its IUPAC name is [[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid.

Molecular Properties

Compound Name[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid
PubChem CID57263867
Molecular FormulaC5H12NO7P
Molecular Weight229.12 g/mol
Exact Mass229.04
IUPAC Name[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid
SMILESO=P(O)(O)NC1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H12NO7P/c7-1-2-3(8)4(9)5(13-2)6-14(10,11)12/h2-5,7-9H,1H2,(H3,6,10,11,12)/t2-,3-,4-,5?/m1/s1
InChIKeyJHENRZZWKKWSRZ-SOOFDHNKSA-N
XLogP-2.89
TPSA139.48 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.12
LogP ≤ 5-2.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-aminoacetic acid;[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid
CID 162021414
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid
CID 66665794
1,3-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]urea
CID 5239774
2-(hydroxymethyl)-6-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol
CID 85428971
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid
CID 71458097
N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide;phosphoric acid
CID 175895258
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylurea
CID 131856810
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165

Frequently Asked Questions

What is the IUPAC name of [[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid?
The IUPAC name of [[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid (CID 57263867) is [[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid.
What is the SMILES notation for [[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid?
The canonical SMILES for [[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid is O=P(O)(O)NC1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of [[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid?
The InChIKey is JHENRZZWKKWSRZ-SOOFDHNKSA-N. The full InChI is InChI=1S/C5H12NO7P/c7-1-2-3(8)4(9)5(13-2)6-14(10,11)12/h2-5,7-9H,1H2,(H3,6,10,11,12)/t2-,3-,4-,5?/m1/s1.
What are the key properties of [[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid?
[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid has a molecular weight of 229.12 g/mol, XLogP of -2.89, 3 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phosphonic acid is sourced from PubChem (CID 57263867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).