(3R,4S,5S)-5-[amino(hydroxy)methyl]oxolane-2,3,4-triol

C5H11NO5 — CID 22860114

IUPAC(3R,4S,5S)-5-[amino(hydroxy)methyl]oxolane-2,3,4-triol
SMILESNC(O)[C@H]1OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H11NO5/c6-4(9)3-1(7)2(8)5(10)11-3/h1-5,7-10H,6H2/t1-,2+,3-,4?,5?/m0/s1
InChIKeyIOYRALMQEOQIKI-SJZBPXBZSA-N
MW165.15 g/mol
LogP-3.30
Rot. Bonds1

About (3R,4S,5S)-5-[amino(hydroxy)methyl]oxolane-2,3,4-triol

(3R,4S,5S)-5-[amino(hydroxy)methyl]oxolane-2,3,4-triol (PubChem CID 22860114) has the molecular formula C5H11NO5 and a molecular weight of 165.15 g/mol. Its IUPAC name is (3R,4S,5S)-5-[amino(hydroxy)methyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(3R,4S,5S)-5-[amino(hydroxy)methyl]oxolane-2,3,4-triol
PubChem CID22860114
Molecular FormulaC5H11NO5
Molecular Weight165.15 g/mol
Exact Mass165.06
IUPAC Name(3R,4S,5S)-5-[amino(hydroxy)methyl]oxolane-2,3,4-triol
SMILESNC(O)[C@H]1OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H11NO5/c6-4(9)3-1(7)2(8)5(10)11-3/h1-5,7-10H,6H2/t1-,2+,3-,4?,5?/m0/s1
InChIKeyIOYRALMQEOQIKI-SJZBPXBZSA-N
XLogP-3.30
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-3.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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 (3R,4S,5S)-5-[amino(hydroxy)methyl]oxolane-2,3,4-triol?
The IUPAC name of (3R,4S,5S)-5-[amino(hydroxy)methyl]oxolane-2,3,4-triol (CID 22860114) is (3R,4S,5S)-5-[amino(hydroxy)methyl]oxolane-2,3,4-triol.
What is the SMILES notation for (3R,4S,5S)-5-[amino(hydroxy)methyl]oxolane-2,3,4-triol?
The canonical SMILES for (3R,4S,5S)-5-[amino(hydroxy)methyl]oxolane-2,3,4-triol is NC(O)[C@H]1OC(O)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5S)-5-[amino(hydroxy)methyl]oxolane-2,3,4-triol?
The InChIKey is IOYRALMQEOQIKI-SJZBPXBZSA-N. The full InChI is InChI=1S/C5H11NO5/c6-4(9)3-1(7)2(8)5(10)11-3/h1-5,7-10H,6H2/t1-,2+,3-,4?,5?/m0/s1.
What are the key properties of (3R,4S,5S)-5-[amino(hydroxy)methyl]oxolane-2,3,4-triol?
(3R,4S,5S)-5-[amino(hydroxy)methyl]oxolane-2,3,4-triol has a molecular weight of 165.15 g/mol, XLogP of -3.30, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-5-[amino(hydroxy)methyl]oxolane-2,3,4-triol is sourced from PubChem (CID 22860114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).