(3S,4R,5S)-2-amino-2-(hydroxymethyl)oxane-3,4,5-triol

C6H13NO5 — CID 148549511

IUPAC(3S,4R,5S)-2-amino-2-(hydroxymethyl)oxane-3,4,5-triol
SMILESNC1(CO)OC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO5/c7-6(2-8)5(11)4(10)3(9)1-12-6/h3-5,8-11H,1-2,7H2/t3-,4+,5-,6?/m0/s1
InChIKeyXDWORWLCRZRAPV-AMVSKUEXSA-N
MW179.17 g/mol
LogP-3.25
Rot. Bonds1

About (3S,4R,5S)-2-amino-2-(hydroxymethyl)oxane-3,4,5-triol

(3S,4R,5S)-2-amino-2-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 148549511) has the molecular formula C6H13NO5 and a molecular weight of 179.17 g/mol. Its IUPAC name is (3S,4R,5S)-2-amino-2-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(3S,4R,5S)-2-amino-2-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID148549511
Molecular FormulaC6H13NO5
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name(3S,4R,5S)-2-amino-2-(hydroxymethyl)oxane-3,4,5-triol
SMILESNC1(CO)OC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO5/c7-6(2-8)5(11)4(10)3(9)1-12-6/h3-5,8-11H,1-2,7H2/t3-,4+,5-,6?/m0/s1
InChIKeyXDWORWLCRZRAPV-AMVSKUEXSA-N
XLogP-3.25
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 5-3.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-2-amino-2-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (3S,4R,5S)-2-amino-2-(hydroxymethyl)oxane-3,4,5-triol (CID 148549511) is (3S,4R,5S)-2-amino-2-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (3S,4R,5S)-2-amino-2-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (3S,4R,5S)-2-amino-2-(hydroxymethyl)oxane-3,4,5-triol is NC1(CO)OC[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R,5S)-2-amino-2-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is XDWORWLCRZRAPV-AMVSKUEXSA-N. The full InChI is InChI=1S/C6H13NO5/c7-6(2-8)5(11)4(10)3(9)1-12-6/h3-5,8-11H,1-2,7H2/t3-,4+,5-,6?/m0/s1.
What are the key properties of (3S,4R,5S)-2-amino-2-(hydroxymethyl)oxane-3,4,5-triol?
(3S,4R,5S)-2-amino-2-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 179.17 g/mol, XLogP of -3.25, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-2-amino-2-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 148549511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).