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

C6H13NO4 — CID 57244459

IUPAC(3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
SMILESCC1(N)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO4/c1-6(7)5(10)4(9)3(2-8)11-6/h3-5,8-10H,2,7H2,1H3/t3-,4-,5-,6?/m1/s1
InChIKeyXOGPEVKCRZLKRF-JDJSBBGDSA-N
MW163.17 g/mol
LogP-2.23
Rot. Bonds1

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

(3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol (PubChem CID 57244459) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is (3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
PubChem CID57244459
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
SMILESCC1(N)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO4/c1-6(7)5(10)4(9)3(2-8)11-6/h3-5,8-10H,2,7H2,1H3/t3-,4-,5-,6?/m1/s1
InChIKeyXOGPEVKCRZLKRF-JDJSBBGDSA-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

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Related Compounds

(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(2R,5R)-2-amino-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 129088013
(3R,4S,5S,6R)-2,2-diamino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171922004
(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol
CID 163493374
(2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol
CID 11529514
4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol
CID 137455676
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
1-[(2R,3R,4S,5S,6R)-3-amino-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone
CID 140653624
(2R,3R,5S)-5-(hydroxymethyl)-2-(methoxymethyl)-2-methyloxolane-3,4-diol
CID 58212467
6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane
CID 162165595
(3R,4R,5S,6R)-3-amino-3-heptyl-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol
CID 151026120
(3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol
CID 102165181

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol?
The IUPAC name of (3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol (CID 57244459) is (3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol.
What is the SMILES notation for (3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol?
The canonical SMILES for (3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol is CC1(N)O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol?
The InChIKey is XOGPEVKCRZLKRF-JDJSBBGDSA-N. The full InChI is InChI=1S/C6H13NO4/c1-6(7)5(10)4(9)3(2-8)11-6/h3-5,8-10H,2,7H2,1H3/t3-,4-,5-,6?/m1/s1.
What are the key properties of (3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol?
(3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-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 (3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol is sourced from PubChem (CID 57244459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).