(3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol

C9H19NO4 — CID 22887281

IUPAC(3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol
SMILESCOC1O[C@H](C)[C@@H](N(C)C)[C@H](O)[C@H]1O
InChIInChI=1S/C9H19NO4/c1-5-6(10(2)3)7(11)8(12)9(13-4)14-5/h5-9,11-12H,1-4H3/t5-,6-,7+,8-,9?/m1/s1
InChIKeySLXSPBZWNCGKAA-LOFWALOHSA-N
MW205.25 g/mol
LogP-0.97
Rot. Bonds2

About (3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol

(3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol (PubChem CID 22887281) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is (3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol
PubChem CID22887281
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol
SMILESCOC1O[C@H](C)[C@@H](N(C)C)[C@H](O)[C@H]1O
InChIInChI=1S/C9H19NO4/c1-5-6(10(2)3)7(11)8(12)9(13-4)14-5/h5-9,11-12H,1-4H3/t5-,6-,7+,8-,9?/m1/s1
InChIKeySLXSPBZWNCGKAA-LOFWALOHSA-N
XLogP-0.97
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol?
The IUPAC name of (3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol (CID 22887281) is (3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol.
What is the SMILES notation for (3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol?
The canonical SMILES for (3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol is COC1O[C@H](C)[C@@H](N(C)C)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol?
The InChIKey is SLXSPBZWNCGKAA-LOFWALOHSA-N. The full InChI is InChI=1S/C9H19NO4/c1-5-6(10(2)3)7(11)8(12)9(13-4)14-5/h5-9,11-12H,1-4H3/t5-,6-,7+,8-,9?/m1/s1.
What are the key properties of (3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol?
(3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol has a molecular weight of 205.25 g/mol, XLogP of -0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol is sourced from PubChem (CID 22887281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).