2-(5-amino-4,6-dihydroxyoxan-2-yl)ethylphosphonous acid

C7H16NO5P — CID 167490800

IUPAC2-(5-amino-4,6-dihydroxyoxan-2-yl)ethylphosphonous acid
SMILESNC1C(O)CC(CCP(O)O)OC1O
InChIInChI=1S/C7H16NO5P/c8-6-5(9)3-4(13-7(6)10)1-2-14(11)12/h4-7,9-12H,1-3,8H2
InChIKeyRJJFLNGHUWZUSL-UHFFFAOYSA-N
MW225.18 g/mol
LogP-1.53
Rot. Bonds3

About 2-(5-amino-4,6-dihydroxyoxan-2-yl)ethylphosphonous acid

2-(5-amino-4,6-dihydroxyoxan-2-yl)ethylphosphonous acid (PubChem CID 167490800) has the molecular formula C7H16NO5P and a molecular weight of 225.18 g/mol. Its IUPAC name is 2-(5-amino-4,6-dihydroxyoxan-2-yl)ethylphosphonous acid.

Molecular Properties

Compound Name2-(5-amino-4,6-dihydroxyoxan-2-yl)ethylphosphonous acid
PubChem CID167490800
Molecular FormulaC7H16NO5P
Molecular Weight225.18 g/mol
Exact Mass225.08
IUPAC Name2-(5-amino-4,6-dihydroxyoxan-2-yl)ethylphosphonous acid
SMILESNC1C(O)CC(CCP(O)O)OC1O
InChIInChI=1S/C7H16NO5P/c8-6-5(9)3-4(13-7(6)10)1-2-14(11)12/h4-7,9-12H,1-3,8H2
InChIKeyRJJFLNGHUWZUSL-UHFFFAOYSA-N
XLogP-1.53
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 5-1.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-4,6-dihydroxyoxan-2-yl)methyl hydrogen sulfate
CID 59248842
(1S,2R,3R,4S,6R)-4,6-diamino-3-[(2R,3R,4S,6S)-3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxycyclohexane-1,2-diol
CID 12900028
2-(2,2-difluoro-4,5-dihydroxycyclohexyl)ethylphosphonous acid
CID 167490958
2-[(2S,4R,5R)-4,5-dihydroxyoxolan-2-yl]acetic acid
CID 131034574
(3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol
CID 89318035
6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol
CID 123931534
(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid
CID 158492783
3,4,5-triaminooxolan-2-ol
CID 163447775
[(4R)-3-amino-2-hydroxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate
CID 89040433
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;sulfane
CID 174539806
(1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol
CID 143974221
amino-[[(2S,4S,5S)-4,5,6-trihydroxyoxan-2-yl]methylamino]phosphinic acid
CID 167491375

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4,6-dihydroxyoxan-2-yl)ethylphosphonous acid?
The IUPAC name of 2-(5-amino-4,6-dihydroxyoxan-2-yl)ethylphosphonous acid (CID 167490800) is 2-(5-amino-4,6-dihydroxyoxan-2-yl)ethylphosphonous acid.
What is the SMILES notation for 2-(5-amino-4,6-dihydroxyoxan-2-yl)ethylphosphonous acid?
The canonical SMILES for 2-(5-amino-4,6-dihydroxyoxan-2-yl)ethylphosphonous acid is NC1C(O)CC(CCP(O)O)OC1O.
What is the InChIKey of 2-(5-amino-4,6-dihydroxyoxan-2-yl)ethylphosphonous acid?
The InChIKey is RJJFLNGHUWZUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO5P/c8-6-5(9)3-4(13-7(6)10)1-2-14(11)12/h4-7,9-12H,1-3,8H2.
What are the key properties of 2-(5-amino-4,6-dihydroxyoxan-2-yl)ethylphosphonous acid?
2-(5-amino-4,6-dihydroxyoxan-2-yl)ethylphosphonous acid has a molecular weight of 225.18 g/mol, XLogP of -1.53, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4,6-dihydroxyoxan-2-yl)ethylphosphonous acid is sourced from PubChem (CID 167490800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).