(2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol

C8H17NO3 — CID 90658743

IUPAC(2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol
SMILESC[C@@H]1O[C@H](O)C[C@@H](N(C)C)[C@H]1O
InChIInChI=1S/C8H17NO3/c1-5-8(11)6(9(2)3)4-7(10)12-5/h5-8,10-11H,4H2,1-3H3/t5-,6+,7-,8-/m0/s1
InChIKeyDGZXFJBRHFOJBC-YWIQKCBGSA-N
MW175.23 g/mol
LogP-0.60
Rot. Bonds1

About (2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol

(2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol (PubChem CID 90658743) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol.

Molecular Properties

Compound Name(2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol
PubChem CID90658743
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol
SMILESC[C@@H]1O[C@H](O)C[C@@H](N(C)C)[C@H]1O
InChIInChI=1S/C8H17NO3/c1-5-8(11)6(9(2)3)4-7(10)12-5/h5-8,10-11H,4H2,1-3H3/t5-,6+,7-,8-/m0/s1
InChIKeyDGZXFJBRHFOJBC-YWIQKCBGSA-N
XLogP-0.60
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S,5R,6R)-4-(dimethylamino)-6-methyloxane-2,5-diol
CID 57130951
(2S,4S,5S,6R)-6-methyloxane-2,4,5-triol
CID 6543736
(2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
CID 89217462
(5S,6S)-4-amino-6-methyloxane-2,5-diol
CID 55284628
(2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride
CID 91980014
(4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one
CID 141350256
[(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite
CID 134302754
4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 67952449
(3S)-4-(dimethylamino)-6-methyloxan-3-ol
CID 89038501
(3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol
CID 14139769
(3aS,4R,5R,6S,7aR)-6-(dimethylamino)-4-methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol
CID 11911013
(3aR,4R,5S,6S,7aS)-6-(dimethylamino)-4-methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol
CID 7648348

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol?
The IUPAC name of (2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol (CID 90658743) is (2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol.
What is the SMILES notation for (2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol?
The canonical SMILES for (2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol is C[C@@H]1O[C@H](O)C[C@@H](N(C)C)[C@H]1O.
What is the InChIKey of (2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol?
The InChIKey is DGZXFJBRHFOJBC-YWIQKCBGSA-N. The full InChI is InChI=1S/C8H17NO3/c1-5-8(11)6(9(2)3)4-7(10)12-5/h5-8,10-11H,4H2,1-3H3/t5-,6+,7-,8-/m0/s1.
What are the key properties of (2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol?
(2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol has a molecular weight of 175.23 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol is sourced from PubChem (CID 90658743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).