(3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol

C8H17NO4 — CID 102165181

IUPAC(3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol
SMILESCC1(C)O[C@H](CO)[C@@H](N)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H17NO4/c1-8(2)7(12)6(11)5(9)4(3-10)13-8/h4-7,10-12H,3,9H2,1-2H3/t4-,5-,6-,7+/m1/s1
InChIKeyUPLFMPQOXUVOPM-GBNDHIKLSA-N
MW191.23 g/mol
LogP-1.79
Rot. Bonds1

About (3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol

(3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol (PubChem CID 102165181) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol.

Molecular Properties

Compound Name(3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol
PubChem CID102165181
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name(3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol
SMILESCC1(C)O[C@H](CO)[C@@H](N)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H17NO4/c1-8(2)7(12)6(11)5(9)4(3-10)13-8/h4-7,10-12H,3,9H2,1-2H3/t4-,5-,6-,7+/m1/s1
InChIKeyUPLFMPQOXUVOPM-GBNDHIKLSA-N
XLogP-1.79
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Related Compounds

(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol
CID 163493374
4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol
CID 137455676
5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol
CID 59937976
(3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 57244459
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane
CID 172738013
(2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol
CID 129088072
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
(5S)-5-[(2S,5S)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol
CID 54065452
(3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol
CID 174689422
(3S,4S,5R)-6,6-dimethyloxane-2,3,4,5-tetrol
CID 130978122
5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol
CID 20760770

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol?
The IUPAC name of (3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol (CID 102165181) is (3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol.
What is the SMILES notation for (3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol?
The canonical SMILES for (3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol is CC1(C)O[C@H](CO)[C@@H](N)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol?
The InChIKey is UPLFMPQOXUVOPM-GBNDHIKLSA-N. The full InChI is InChI=1S/C8H17NO4/c1-8(2)7(12)6(11)5(9)4(3-10)13-8/h4-7,10-12H,3,9H2,1-2H3/t4-,5-,6-,7+/m1/s1.
What are the key properties of (3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol?
(3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol has a molecular weight of 191.23 g/mol, XLogP of -1.79, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol is sourced from PubChem (CID 102165181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).