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

C7H15NO6 — CID 176884296

IUPAC(3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol
SMILESCN[C@@]1(O)C(O)O[C@@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C7H15NO6/c1-8-7(13)5(11)4(10)3(2-9)14-6(7)12/h3-6,8-13H,2H2,1H3/t3-,4-,5+,6?,7-/m0/s1
InChIKeyFFWWKQYEDZQGTP-JMSNOUGXSA-N
MW209.20 g/mol
LogP-3.67
Rot. Bonds2

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

(3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol (PubChem CID 176884296) has the molecular formula C7H15NO6 and a molecular weight of 209.20 g/mol. Its IUPAC name is (3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol
PubChem CID176884296
Molecular FormulaC7H15NO6
Molecular Weight209.20 g/mol
Exact Mass209.09
IUPAC Name(3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol
SMILESCN[C@@]1(O)C(O)O[C@@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C7H15NO6/c1-8-7(13)5(11)4(10)3(2-9)14-6(7)12/h3-6,8-13H,2H2,1H3/t3-,4-,5+,6?,7-/m0/s1
InChIKeyFFWWKQYEDZQGTP-JMSNOUGXSA-N
XLogP-3.67
TPSA122.41 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500209.20
LogP ≤ 5-3.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 56606853
N-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 18659288
6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 22286958
(2S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 101196422
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 118961526
3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58092357
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3-phenyloxane-2,3,4,5-tetrol
CID 57135995
N-[(3R,4S,5R,6R)-6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5-tetrahydroxyoxan-3-yl]acetamide
CID 54228502
(3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 175255242
(3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 91278110
1-(2-chloroethyl)-1-nitroso-3-[(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]urea
CID 90855700
(1S,4R,5R,6R)-4-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-1,2,5,6-tetrol
CID 91393562

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol?
The IUPAC name of (3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol (CID 176884296) is (3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol?
The canonical SMILES for (3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol is CN[C@@]1(O)C(O)O[C@@H](CO)[C@H](O)[C@H]1O.
What is the InChIKey of (3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol?
The InChIKey is FFWWKQYEDZQGTP-JMSNOUGXSA-N. The full InChI is InChI=1S/C7H15NO6/c1-8-7(13)5(11)4(10)3(2-9)14-6(7)12/h3-6,8-13H,2H2,1H3/t3-,4-,5+,6?,7-/m0/s1.
What are the key properties of (3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol?
(3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol has a molecular weight of 209.20 g/mol, XLogP of -3.67, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 176884296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).