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

C9H19NO4 — CID 22887274

IUPAC(2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol
SMILESCO[C@H]1C[C@](O)(N(C)C)[C@@H](O)[C@@H](C)O1
InChIInChI=1S/C9H19NO4/c1-6-8(11)9(12,10(2)3)5-7(13-4)14-6/h6-8,11-12H,5H2,1-4H3/t6-,7-,8+,9-/m1/s1
InChIKeyNTMCPCFGHWNBDW-LURQLKTLSA-N
MW205.25 g/mol
LogP-0.62
Rot. Bonds2

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

(2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol (PubChem CID 22887274) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is (2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol
PubChem CID22887274
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol
SMILESCO[C@H]1C[C@](O)(N(C)C)[C@@H](O)[C@@H](C)O1
InChIInChI=1S/C9H19NO4/c1-6-8(11)9(12,10(2)3)5-7(13-4)14-6/h6-8,11-12H,5H2,1-4H3/t6-,7-,8+,9-/m1/s1
InChIKeyNTMCPCFGHWNBDW-LURQLKTLSA-N
XLogP-0.62
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 ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol with MolForge

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Related Compounds

(2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol
CID 23254147
(2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol
CID 163082697
(2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one
CID 143150247
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
(2R)-6-methoxy-2-methyloxan-3-ol
CID 145387170
6-methoxy-2,4-dimethyloxan-3-ol
CID 58831559
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489
(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
CID 130909200
[(2S,3S,4R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
CID 117066528
(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol
CID 70527934
(1R,2S,4R,6S)-4-methoxy-2-methyl-3,7-dioxabicyclo[4.1.0]heptane
CID 131885979
(1R,2R,4R,6S)-4-methoxy-2-methyl-3,7-dioxabicyclo[4.1.0]heptane
CID 12817977

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol?
The IUPAC name of (2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol (CID 22887274) is (2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol is CO[C@H]1C[C@](O)(N(C)C)[C@@H](O)[C@@H](C)O1.
What is the InChIKey of (2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol?
The InChIKey is NTMCPCFGHWNBDW-LURQLKTLSA-N. The full InChI is InChI=1S/C9H19NO4/c1-6-8(11)9(12,10(2)3)5-7(13-4)14-6/h6-8,11-12H,5H2,1-4H3/t6-,7-,8+,9-/m1/s1.
What are the key properties of (2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol?
(2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol has a molecular weight of 205.25 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol is sourced from PubChem (CID 22887274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).