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

C5H11NO4 — CID 69033271

IUPAC(3S,4S,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol
SMILESN[C@@H]1[C@H](CO)OC(O)[C@H]1O
InChIInChI=1S/C5H11NO4/c6-3-2(1-7)10-5(9)4(3)8/h2-5,7-9H,1,6H2/t2-,3+,4-,5?/m0/s1
InChIKeyCKTSPAXEVIBYFI-CZBDKTQLSA-N
MW149.15 g/mol
LogP-2.62
Rot. Bonds1

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

(3S,4S,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol (PubChem CID 69033271) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is (3S,4S,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol.

Molecular Properties

Compound Name(3S,4S,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol
PubChem CID69033271
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name(3S,4S,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol
SMILESN[C@@H]1[C@H](CO)OC(O)[C@H]1O
InChIInChI=1S/C5H11NO4/c6-3-2(1-7)10-5(9)4(3)8/h2-5,7-9H,1,6H2/t2-,3+,4-,5?/m0/s1
InChIKeyCKTSPAXEVIBYFI-CZBDKTQLSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol?
The IUPAC name of (3S,4S,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol (CID 69033271) is (3S,4S,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol.
What is the SMILES notation for (3S,4S,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol?
The canonical SMILES for (3S,4S,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol is N[C@@H]1[C@H](CO)OC(O)[C@H]1O.
What is the InChIKey of (3S,4S,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol?
The InChIKey is CKTSPAXEVIBYFI-CZBDKTQLSA-N. The full InChI is InChI=1S/C5H11NO4/c6-3-2(1-7)10-5(9)4(3)8/h2-5,7-9H,1,6H2/t2-,3+,4-,5?/m0/s1.
What are the key properties of (3S,4S,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol?
(3S,4S,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-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 (3S,4S,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol is sourced from PubChem (CID 69033271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).