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

C10H21NO5 — CID 57203181

IUPAC(2R,3R,4R,5R)-2-(butylaminooxy)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
SMILESCCCCNO[C@@]1(CO)O[C@H](C)[C@H](O)[C@H]1O
InChIInChI=1S/C10H21NO5/c1-3-4-5-11-16-10(6-12)9(14)8(13)7(2)15-10/h7-9,11-14H,3-6H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKeyYRTCWNKXDBBOEV-UTINFBMNSA-N
MW235.28 g/mol
LogP-0.86
Rot. Bonds6

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

(2R,3R,4R,5R)-2-(butylaminooxy)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol (PubChem CID 57203181) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(butylaminooxy)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(butylaminooxy)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
PubChem CID57203181
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name(2R,3R,4R,5R)-2-(butylaminooxy)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
SMILESCCCCNO[C@@]1(CO)O[C@H](C)[C@H](O)[C@H]1O
InChIInChI=1S/C10H21NO5/c1-3-4-5-11-16-10(6-12)9(14)8(13)7(2)15-10/h7-9,11-14H,3-6H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKeyYRTCWNKXDBBOEV-UTINFBMNSA-N
XLogP-0.86
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(butylaminooxy)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(butylaminooxy)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol (CID 57203181) is (2R,3R,4R,5R)-2-(butylaminooxy)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(butylaminooxy)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(butylaminooxy)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol is CCCCNO[C@@]1(CO)O[C@H](C)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-(butylaminooxy)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol?
The InChIKey is YRTCWNKXDBBOEV-UTINFBMNSA-N. The full InChI is InChI=1S/C10H21NO5/c1-3-4-5-11-16-10(6-12)9(14)8(13)7(2)15-10/h7-9,11-14H,3-6H2,1-2H3/t7-,8+,9-,10-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(butylaminooxy)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol?
(2R,3R,4R,5R)-2-(butylaminooxy)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol has a molecular weight of 235.28 g/mol, XLogP of -0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(butylaminooxy)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol is sourced from PubChem (CID 57203181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).