(3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol

C18H35NO6 — CID 118517821

IUPAC(3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol
SMILESCO[C@H]1[C@H](O[C@@H]2C(C)OC(C)[C@H](O)[C@H]2N(C)C)O[C@H](C)[C@@H](OC)[C@@H]1C
InChIInChI=1S/C18H35NO6/c1-9-15(21-7)11(3)24-18(16(9)22-8)25-17-12(4)23-10(2)14(20)13(17)19(5)6/h9-18,20H,1-8H3/t9-,10?,11+,12?,13+,14-,15-,16+,17+,18-/m0/s1
InChIKeyOOBDJJYQNODBNU-QXBKFHAKSA-N
MW361.48 g/mol
LogP0.88
Rot. Bonds5

About (3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol

(3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol (PubChem CID 118517821) has the molecular formula C18H35NO6 and a molecular weight of 361.48 g/mol. Its IUPAC name is (3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol.

Molecular Properties

Compound Name(3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol
PubChem CID118517821
Molecular FormulaC18H35NO6
Molecular Weight361.48 g/mol
Exact Mass361.25
IUPAC Name(3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol
SMILESCO[C@H]1[C@H](O[C@@H]2C(C)OC(C)[C@H](O)[C@H]2N(C)C)O[C@H](C)[C@@H](OC)[C@@H]1C
InChIInChI=1S/C18H35NO6/c1-9-15(21-7)11(3)24-18(16(9)22-8)25-17-12(4)23-10(2)14(20)13(17)19(5)6/h9-18,20H,1-8H3/t9-,10?,11+,12?,13+,14-,15-,16+,17+,18-/m0/s1
InChIKeyOOBDJJYQNODBNU-QXBKFHAKSA-N
XLogP0.88
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol with MolForge

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Related Compounds

(3R,4S,5S,6R)-5-(dimethylamino)-2-methoxy-6-methyloxane-3,4-diol
CID 22887281
(2S,3R,4S,5S,6S)-2-[(2R,3R,4S,5S,6S)-5-hydroxy-2,3-dimethoxy-6-methyloxan-4-yl]oxy-6-methyl-4-[(2R,3S,4S,5S,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane-3,5-diol
CID 162842808
(2S,3S,4R,5R,6S)-6-[(2S,3R,4R,5S,6S)-5-hydroxy-2-[(2S,3S,4R,5R)-6-hydroxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol
CID 91858811
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 13122553
(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
CID 129044484
(2S,3R,4R,5S,6S)-6-[(3R,4S,5R)-2-hydroxy-3,5-dimethoxyoxan-4-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol
CID 91849807
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489
(3S,5R)-2-[(3R,5S)-4,5-dihydroxy-2,6-dimethyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 121354836
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-[(2R,3S,4S,5R,6S)-4-hydroxy-6-methoxy-2-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 163115163
(2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol
CID 134847409
(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
CID 91854426

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol?
The IUPAC name of (3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol (CID 118517821) is (3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol.
What is the SMILES notation for (3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol?
The canonical SMILES for (3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol is CO[C@H]1[C@H](O[C@@H]2C(C)OC(C)[C@H](O)[C@H]2N(C)C)O[C@H](C)[C@@H](OC)[C@@H]1C.
What is the InChIKey of (3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol?
The InChIKey is OOBDJJYQNODBNU-QXBKFHAKSA-N. The full InChI is InChI=1S/C18H35NO6/c1-9-15(21-7)11(3)24-18(16(9)22-8)25-17-12(4)23-10(2)14(20)13(17)19(5)6/h9-18,20H,1-8H3/t9-,10?,11+,12?,13+,14-,15-,16+,17+,18-/m0/s1.
What are the key properties of (3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol?
(3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol has a molecular weight of 361.48 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol is sourced from PubChem (CID 118517821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).