(3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol

C7H15NO5 — CID 148734988

IUPAC(3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
SMILESCN[C@@H]1C(O)OC(CO)C(O)C1O
InChIInChI=1S/C7H15NO5/c1-8-4-6(11)5(10)3(2-9)13-7(4)12/h3-12H,2H2,1H3/t3?,4-,5?,6?,7?/m0/s1
InChIKeyOBSLWIKITOYASJ-SXULZNNNSA-N
MW193.20 g/mol
LogP-2.99
Rot. Bonds2

About (3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol

(3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol (PubChem CID 148734988) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is (3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol.

Molecular Properties

Compound Name(3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
PubChem CID148734988
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
SMILESCN[C@@H]1C(O)OC(CO)C(O)C1O
InChIInChI=1S/C7H15NO5/c1-8-4-6(11)5(10)3(2-9)13-7(4)12/h3-12H,2H2,1H3/t3?,4-,5?,6?,7?/m0/s1
InChIKeyOBSLWIKITOYASJ-SXULZNNNSA-N
XLogP-2.99
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-2.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 163828593
(5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 175358932
(3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70829993
(2R,4R,5S)-3-(chloroamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 91580441
1-methyl-3-[(2R,3S,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea
CID 100567156
(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 159492637
(2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol
CID 90657093
(3S,4R,6S)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol;formaldehyde
CID 160500295
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol
CID 57353518
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753

Frequently Asked Questions

What is the IUPAC name of (3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol?
The IUPAC name of (3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol (CID 148734988) is (3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol.
What is the SMILES notation for (3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol?
The canonical SMILES for (3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol is CN[C@@H]1C(O)OC(CO)C(O)C1O.
What is the InChIKey of (3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol?
The InChIKey is OBSLWIKITOYASJ-SXULZNNNSA-N. The full InChI is InChI=1S/C7H15NO5/c1-8-4-6(11)5(10)3(2-9)13-7(4)12/h3-12H,2H2,1H3/t3?,4-,5?,6?,7?/m0/s1.
What are the key properties of (3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol?
(3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol has a molecular weight of 193.20 g/mol, XLogP of -2.99, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol is sourced from PubChem (CID 148734988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).