(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(pentan-2-ylamino)methyl]oxolane-3,4-diol

C11H23NO4 — CID 44585427

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(pentan-2-ylamino)methyl]oxolane-3,4-diol
SMILESCCCC(C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H23NO4/c1-3-4-7(2)12-5-8-10(14)11(15)9(6-13)16-8/h7-15H,3-6H2,1-2H3/t7?,8-,9-,10-,11-/m1/s1
InChIKeyYWLYOHBPWDDODF-HHXWRROTSA-N
MW233.31 g/mol
LogP-0.75
Rot. Bonds6

About (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(pentan-2-ylamino)methyl]oxolane-3,4-diol

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(pentan-2-ylamino)methyl]oxolane-3,4-diol (PubChem CID 44585427) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(pentan-2-ylamino)methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(pentan-2-ylamino)methyl]oxolane-3,4-diol
PubChem CID44585427
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(pentan-2-ylamino)methyl]oxolane-3,4-diol
SMILESCCCC(C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H23NO4/c1-3-4-7(2)12-5-8-10(14)11(15)9(6-13)16-8/h7-15H,3-6H2,1-2H3/t7?,8-,9-,10-,11-/m1/s1
InChIKeyYWLYOHBPWDDODF-HHXWRROTSA-N
XLogP-0.75
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(pentan-2-ylamino)methyl]oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(pentan-2-ylamino)methyl]oxolane-3,4-diol (CID 44585427) is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(pentan-2-ylamino)methyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(pentan-2-ylamino)methyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(pentan-2-ylamino)methyl]oxolane-3,4-diol is CCCC(C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(pentan-2-ylamino)methyl]oxolane-3,4-diol?
The InChIKey is YWLYOHBPWDDODF-HHXWRROTSA-N. The full InChI is InChI=1S/C11H23NO4/c1-3-4-7(2)12-5-8-10(14)11(15)9(6-13)16-8/h7-15H,3-6H2,1-2H3/t7?,8-,9-,10-,11-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(pentan-2-ylamino)methyl]oxolane-3,4-diol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(pentan-2-ylamino)methyl]oxolane-3,4-diol has a molecular weight of 233.31 g/mol, XLogP of -0.75, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(pentan-2-ylamino)methyl]oxolane-3,4-diol is sourced from PubChem (CID 44585427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).