(2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-(2-methylpropyl)-6-pentoxyoxane-3,4-diol

C15H31NO5 — CID 174839075

IUPAC(2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-(2-methylpropyl)-6-pentoxyoxane-3,4-diol
SMILESCCCCCOC1(CC(C)C)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C15H31NO5/c1-4-5-6-7-20-15(8-10(2)3)14(16)13(19)12(18)11(9-17)21-15/h10-14,17-19H,4-9,16H2,1-3H3/t11-,12+,13+,14-,15?/m1/s1
InChIKeySPSYSCSWYJOIKW-GVLTWOEFSA-N
MW305.42 g/mol
LogP0.38
Rot. Bonds8

About (2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-(2-methylpropyl)-6-pentoxyoxane-3,4-diol

(2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-(2-methylpropyl)-6-pentoxyoxane-3,4-diol (PubChem CID 174839075) has the molecular formula C15H31NO5 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-(2-methylpropyl)-6-pentoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-(2-methylpropyl)-6-pentoxyoxane-3,4-diol
PubChem CID174839075
Molecular FormulaC15H31NO5
Molecular Weight305.42 g/mol
Exact Mass305.22
IUPAC Name(2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-(2-methylpropyl)-6-pentoxyoxane-3,4-diol
SMILESCCCCCOC1(CC(C)C)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C15H31NO5/c1-4-5-6-7-20-15(8-10(2)3)14(16)13(19)12(18)11(9-17)21-15/h10-14,17-19H,4-9,16H2,1-3H3/t11-,12+,13+,14-,15?/m1/s1
InChIKeySPSYSCSWYJOIKW-GVLTWOEFSA-N
XLogP0.38
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-(2-methylpropyl)-6-pentoxyoxane-3,4-diol with MolForge

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Related Compounds

(3R,4S,5R,6R)-6-(hydroxymethyl)-2-octoxy-2-octyloxane-3,4,5-triol
CID 22879298
(3R,4S,5S,6R)-6-(hydroxymethyl)-2-undecoxyoxane-2,3,4,5-tetrol
CID 139609778
(2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 154790998
(2S,3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)-2-pentoxyoxane-3,4,5-triol
CID 68573725
(2S,3S,4R,5R)-2-hexoxy-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 139696079
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-[(Z)-octadec-9-enyl]oxane-2,4,5-triol
CID 70149269
[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] 2-methyloctanoate
CID 140550027
1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-deuteriooctan-1-one
CID 141107812
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5S)-5-butoxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101220690
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane
CID 172738013
(3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-2-dodecyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 68636093
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(heptoxymethyl)oxane-3,4,5-triol
CID 175206845

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-(2-methylpropyl)-6-pentoxyoxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-(2-methylpropyl)-6-pentoxyoxane-3,4-diol (CID 174839075) is (2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-(2-methylpropyl)-6-pentoxyoxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-(2-methylpropyl)-6-pentoxyoxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-(2-methylpropyl)-6-pentoxyoxane-3,4-diol is CCCCCOC1(CC(C)C)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N.
What is the InChIKey of (2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-(2-methylpropyl)-6-pentoxyoxane-3,4-diol?
The InChIKey is SPSYSCSWYJOIKW-GVLTWOEFSA-N. The full InChI is InChI=1S/C15H31NO5/c1-4-5-6-7-20-15(8-10(2)3)14(16)13(19)12(18)11(9-17)21-15/h10-14,17-19H,4-9,16H2,1-3H3/t11-,12+,13+,14-,15?/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-(2-methylpropyl)-6-pentoxyoxane-3,4-diol?
(2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-(2-methylpropyl)-6-pentoxyoxane-3,4-diol has a molecular weight of 305.42 g/mol, XLogP of 0.38, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-(2-methylpropyl)-6-pentoxyoxane-3,4-diol is sourced from PubChem (CID 174839075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).