(2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol

C5H11NO4 — CID 55288704

IUPAC(2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol
SMILESN[C@H]1[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C5H11NO4/c6-3-4(8)2(1-7)10-5(3)9/h2-5,7-9H,1,6H2/t2-,3+,4-,5-/m1/s1
InChIKeyWVFLQJAIFBHEMM-KKQCNMDGSA-N
MW149.15 g/mol
LogP-2.62
Rot. Bonds1

About (2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol

(2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol (PubChem CID 55288704) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol
PubChem CID55288704
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name(2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol
SMILESN[C@H]1[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C5H11NO4/c6-3-4(8)2(1-7)10-5(3)9/h2-5,7-9H,1,6H2/t2-,3+,4-,5-/m1/s1
InChIKeyWVFLQJAIFBHEMM-KKQCNMDGSA-N
XLogP-2.62
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-2.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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
(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid
CID 158492783
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid
CID 66583672
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol?
The IUPAC name of (2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol (CID 55288704) is (2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol is N[C@H]1[C@H](O)[C@@H](CO)O[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol?
The InChIKey is WVFLQJAIFBHEMM-KKQCNMDGSA-N. The full InChI is InChI=1S/C5H11NO4/c6-3-4(8)2(1-7)10-5(3)9/h2-5,7-9H,1,6H2/t2-,3+,4-,5-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol?
(2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol has a molecular weight of 149.15 g/mol, XLogP of -2.62, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol is sourced from PubChem (CID 55288704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).