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

C7H15NO4 — CID 129088013

IUPAC(2R,5R)-2-amino-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCC[C@@]1(N)O[C@H](CO)C(O)C1O
InChIInChI=1S/C7H15NO4/c1-2-7(8)6(11)5(10)4(3-9)12-7/h4-6,9-11H,2-3,8H2,1H3/t4-,5?,6?,7-/m1/s1
InChIKeyBUOWFUXFEVNLBT-WMXYBCMPSA-N
MW177.20 g/mol
LogP-1.84
Rot. Bonds2

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

(2R,5R)-2-amino-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 129088013) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2R,5R)-2-amino-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,5R)-2-amino-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID129088013
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name(2R,5R)-2-amino-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCC[C@@]1(N)O[C@H](CO)C(O)C1O
InChIInChI=1S/C7H15NO4/c1-2-7(8)6(11)5(10)4(3-9)12-7/h4-6,9-11H,2-3,8H2,1H3/t4-,5?,6?,7-/m1/s1
InChIKeyBUOWFUXFEVNLBT-WMXYBCMPSA-N
XLogP-1.84
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 57244459
(3R,4S,5S,6R)-2,2-diamino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171922004
(2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 89336790
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(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
1-[(2R,3R,4S,5S,6R)-3-amino-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone
CID 140653624
(3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 54008536
(3R,4R,5S,6R)-3-amino-3-heptyl-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol
CID 151026120
(2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 150112365
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol
CID 163493374
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol
CID 141114206

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-amino-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,5R)-2-amino-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol (CID 129088013) is (2R,5R)-2-amino-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,5R)-2-amino-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,5R)-2-amino-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol is CC[C@@]1(N)O[C@H](CO)C(O)C1O.
What is the InChIKey of (2R,5R)-2-amino-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is BUOWFUXFEVNLBT-WMXYBCMPSA-N. The full InChI is InChI=1S/C7H15NO4/c1-2-7(8)6(11)5(10)4(3-9)12-7/h4-6,9-11H,2-3,8H2,1H3/t4-,5?,6?,7-/m1/s1.
What are the key properties of (2R,5R)-2-amino-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,5R)-2-amino-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 177.20 g/mol, XLogP of -1.84, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-amino-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 129088013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).