(2R,3S,4S)-3-amino-2-(1-hydroxyethyl)oxolane-3,4-diol

C6H13NO4 — CID 91506708

IUPAC(2R,3S,4S)-3-amino-2-(1-hydroxyethyl)oxolane-3,4-diol
SMILESCC(O)[C@H]1OC[C@H](O)[C@]1(N)O
InChIInChI=1S/C6H13NO4/c1-3(8)5-6(7,10)4(9)2-11-5/h3-5,8-10H,2,7H2,1H3/t3?,4-,5+,6-/m0/s1
InChIKeyIRKYXFNMQDOXJP-RMILHFBTSA-N
MW163.17 g/mol
LogP-2.23
Rot. Bonds1

About (2R,3S,4S)-3-amino-2-(1-hydroxyethyl)oxolane-3,4-diol

(2R,3S,4S)-3-amino-2-(1-hydroxyethyl)oxolane-3,4-diol (PubChem CID 91506708) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is (2R,3S,4S)-3-amino-2-(1-hydroxyethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S)-3-amino-2-(1-hydroxyethyl)oxolane-3,4-diol
PubChem CID91506708
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(2R,3S,4S)-3-amino-2-(1-hydroxyethyl)oxolane-3,4-diol
SMILESCC(O)[C@H]1OC[C@H](O)[C@]1(N)O
InChIInChI=1S/C6H13NO4/c1-3(8)5-6(7,10)4(9)2-11-5/h3-5,8-10H,2,7H2,1H3/t3?,4-,5+,6-/m0/s1
InChIKeyIRKYXFNMQDOXJP-RMILHFBTSA-N
XLogP-2.23
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-2.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-3-amino-2-(1-hydroxyethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S)-3-amino-2-(1-hydroxyethyl)oxolane-3,4-diol (CID 91506708) is (2R,3S,4S)-3-amino-2-(1-hydroxyethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S)-3-amino-2-(1-hydroxyethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S)-3-amino-2-(1-hydroxyethyl)oxolane-3,4-diol is CC(O)[C@H]1OC[C@H](O)[C@]1(N)O.
What is the InChIKey of (2R,3S,4S)-3-amino-2-(1-hydroxyethyl)oxolane-3,4-diol?
The InChIKey is IRKYXFNMQDOXJP-RMILHFBTSA-N. The full InChI is InChI=1S/C6H13NO4/c1-3(8)5-6(7,10)4(9)2-11-5/h3-5,8-10H,2,7H2,1H3/t3?,4-,5+,6-/m0/s1.
What are the key properties of (2R,3S,4S)-3-amino-2-(1-hydroxyethyl)oxolane-3,4-diol?
(2R,3S,4S)-3-amino-2-(1-hydroxyethyl)oxolane-3,4-diol has a molecular weight of 163.17 g/mol, XLogP of -2.23, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-3-amino-2-(1-hydroxyethyl)oxolane-3,4-diol is sourced from PubChem (CID 91506708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).