(3R,4S,5S,6R)-2-[1-(dimethylamino)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C11H23NO6 — CID 18605016

IUPAC(3R,4S,5S,6R)-2-[1-(dimethylamino)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCC(OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N(C)C
InChIInChI=1S/C11H23NO6/c1-4-7(12(2)3)18-11-10(16)9(15)8(14)6(5-13)17-11/h6-11,13-16H,4-5H2,1-3H3/t6-,7?,8-,9+,10-,11?/m1/s1
InChIKeyLDZQYBNSGLAGTD-OJHRSCCRSA-N
MW265.31 g/mol
LogP-1.90
Rot. Bonds5

About (3R,4S,5S,6R)-2-[1-(dimethylamino)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(3R,4S,5S,6R)-2-[1-(dimethylamino)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 18605016) has the molecular formula C11H23NO6 and a molecular weight of 265.31 g/mol. Its IUPAC name is (3R,4S,5S,6R)-2-[1-(dimethylamino)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-2-[1-(dimethylamino)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID18605016
Molecular FormulaC11H23NO6
Molecular Weight265.31 g/mol
Exact Mass265.15
IUPAC Name(3R,4S,5S,6R)-2-[1-(dimethylamino)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCC(OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N(C)C
InChIInChI=1S/C11H23NO6/c1-4-7(12(2)3)18-11-10(16)9(15)8(14)6(5-13)17-11/h6-11,13-16H,4-5H2,1-3H3/t6-,7?,8-,9+,10-,11?/m1/s1
InChIKeyLDZQYBNSGLAGTD-OJHRSCCRSA-N
XLogP-1.90
TPSA102.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163679264
(2R,3R,5S)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163580885
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 57310038
(3S,5S,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 59515148
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 54363528
(3S,4S,5S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 58132951
(3S,4S)-2-(hydroxymethyl)-6-(1-hydroxypropan-2-yloxy)oxane-3,4,5-triol
CID 163764243
(2S)-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoic acid
CID 102024646
(2S)-2-[(4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoic acid
CID 135130488
(2S)-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate
CID 102024645
(2S,3R,4S,5S,6R)-2-(1,3-dihydroxypropan-2-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10106330
(4S,5R)-2-(butan-2-ylamino)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 130198593

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-2-[1-(dimethylamino)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (3R,4S,5S,6R)-2-[1-(dimethylamino)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 18605016) is (3R,4S,5S,6R)-2-[1-(dimethylamino)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (3R,4S,5S,6R)-2-[1-(dimethylamino)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (3R,4S,5S,6R)-2-[1-(dimethylamino)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is CCC(OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N(C)C.
What is the InChIKey of (3R,4S,5S,6R)-2-[1-(dimethylamino)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is LDZQYBNSGLAGTD-OJHRSCCRSA-N. The full InChI is InChI=1S/C11H23NO6/c1-4-7(12(2)3)18-11-10(16)9(15)8(14)6(5-13)17-11/h6-11,13-16H,4-5H2,1-3H3/t6-,7?,8-,9+,10-,11?/m1/s1.
What are the key properties of (3R,4S,5S,6R)-2-[1-(dimethylamino)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
(3R,4S,5S,6R)-2-[1-(dimethylamino)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 265.31 g/mol, XLogP of -1.90, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-2-[1-(dimethylamino)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 18605016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).