(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid

C6H17N2O7P — CID 158492783

IUPAC(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid
SMILESNP(O)O.N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO5.H4NO2P/c7-3-5(10)4(9)2(1-8)12-6(3)11;1-4(2)3/h2-6,8-11H,1,7H2;2-3H,1H2/t2-,3-,4+,5-,6?;/m1./s1
InChIKeyHIXDQSKVBMEZFW-BMZZJELJSA-N
MW260.18 g/mol
LogP-4.10
Rot. Bonds1

About (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid

(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid (PubChem CID 158492783) has the molecular formula C6H17N2O7P and a molecular weight of 260.18 g/mol. Its IUPAC name is (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid.

Molecular Properties

Compound Name(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid
PubChem CID158492783
Molecular FormulaC6H17N2O7P
Molecular Weight260.18 g/mol
Exact Mass260.08
IUPAC Name(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid
SMILESNP(O)O.N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO5.H4NO2P/c7-3-5(10)4(9)2(1-8)12-6(3)11;1-4(2)3/h2-6,8-11H,1,7H2;2-3H,1H2/t2-,3-,4+,5-,6?;/m1./s1
InChIKeyHIXDQSKVBMEZFW-BMZZJELJSA-N
XLogP-4.10
TPSA182.65 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.18
LogP ≤ 5-4.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5R,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7568496
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3S,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 162091299
(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58456000
(5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67457513
(2S,3R,4S,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 6551011
actinium;(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58582833
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;sulfane
CID 174539806
(2S,3R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrochloride
CID 159661735
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrofluoride
CID 139962183
(2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol
CID 55288704
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid
CID 66583672
disodium;(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;sulfuric acid;dichloride
CID 174851399

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid?
The IUPAC name of (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid (CID 158492783) is (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid.
What is the SMILES notation for (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid?
The canonical SMILES for (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid is NP(O)O.N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid?
The InChIKey is HIXDQSKVBMEZFW-BMZZJELJSA-N. The full InChI is InChI=1S/C6H13NO5.H4NO2P/c7-3-5(10)4(9)2(1-8)12-6(3)11;1-4(2)3/h2-6,8-11H,1,7H2;2-3H,1H2/t2-,3-,4+,5-,6?;/m1./s1.
What are the key properties of (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid?
(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid has a molecular weight of 260.18 g/mol, XLogP of -4.10, 1 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid is sourced from PubChem (CID 158492783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).