(2S,3R,4R,5S,6S)-6-[(3R,4S,5R)-2-hydroxy-3,5-dimethoxyoxan-4-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol

C15H28O9 — CID 91849807

IUPAC(2S,3R,4R,5S,6S)-6-[(3R,4S,5R)-2-hydroxy-3,5-dimethoxyoxan-4-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol
SMILESCO[C@@H]1[C@H](O[C@H]2[C@H](OC)COC(O)[C@@H]2OC)O[C@@H](C)[C@@H](O)[C@H]1OC
InChIInChI=1S/C15H28O9/c1-7-9(16)11(19-3)13(21-5)15(23-7)24-10-8(18-2)6-22-14(17)12(10)20-4/h7-17H,6H2,1-5H3/t7-,8+,9+,10-,11+,12+,13-,14?,15-/m0/s1
InChIKeyTXNPDNYBFWIDBG-CAQYTPKNSA-N
MW352.38 g/mol
LogP-1.11
Rot. Bonds6

About (2S,3R,4R,5S,6S)-6-[(3R,4S,5R)-2-hydroxy-3,5-dimethoxyoxan-4-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol

(2S,3R,4R,5S,6S)-6-[(3R,4S,5R)-2-hydroxy-3,5-dimethoxyoxan-4-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol (PubChem CID 91849807) has the molecular formula C15H28O9 and a molecular weight of 352.38 g/mol. Its IUPAC name is (2S,3R,4R,5S,6S)-6-[(3R,4S,5R)-2-hydroxy-3,5-dimethoxyoxan-4-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6S)-6-[(3R,4S,5R)-2-hydroxy-3,5-dimethoxyoxan-4-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol
PubChem CID91849807
Molecular FormulaC15H28O9
Molecular Weight352.38 g/mol
Exact Mass352.17
IUPAC Name(2S,3R,4R,5S,6S)-6-[(3R,4S,5R)-2-hydroxy-3,5-dimethoxyoxan-4-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol
SMILESCO[C@@H]1[C@H](O[C@H]2[C@H](OC)COC(O)[C@@H]2OC)O[C@@H](C)[C@@H](O)[C@H]1OC
InChIInChI=1S/C15H28O9/c1-7-9(16)11(19-3)13(21-5)15(23-7)24-10-8(18-2)6-22-14(17)12(10)20-4/h7-17H,6H2,1-5H3/t7-,8+,9+,10-,11+,12+,13-,14?,15-/m0/s1
InChIKeyTXNPDNYBFWIDBG-CAQYTPKNSA-N
XLogP-1.11
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

(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
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol
CID 130928120
(2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-diol
CID 14564498
(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
CID 129044484
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
(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,3R,4S,5S,6R)-2-[(3R,4S,5R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 91859624
(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
(2R,3R,4R,5S,6S)-4-[(2S,3R,4R,5S,6S)-4-[(2R,3S,4R,5R,6S)-5-amino-4-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,3,5-triol
CID 91854013
(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4S,5R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4-diol
CID 91856584
5-methoxyoxane-2,3,4-triol
CID 560177

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6S)-6-[(3R,4S,5R)-2-hydroxy-3,5-dimethoxyoxan-4-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol?
The IUPAC name of (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) is (2S,3R,4R,5S,6S)-6-[(3R,4S,5R)-2-hydroxy-3,5-dimethoxyoxan-4-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol.
What is the SMILES notation for (2S,3R,4R,5S,6S)-6-[(3R,4S,5R)-2-hydroxy-3,5-dimethoxyoxan-4-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol?
The canonical SMILES for (2S,3R,4R,5S,6S)-6-[(3R,4S,5R)-2-hydroxy-3,5-dimethoxyoxan-4-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol is CO[C@@H]1[C@H](O[C@H]2[C@H](OC)COC(O)[C@@H]2OC)O[C@@H](C)[C@@H](O)[C@H]1OC.
What is the InChIKey of (2S,3R,4R,5S,6S)-6-[(3R,4S,5R)-2-hydroxy-3,5-dimethoxyoxan-4-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol?
The InChIKey is TXNPDNYBFWIDBG-CAQYTPKNSA-N. The full InChI is InChI=1S/C15H28O9/c1-7-9(16)11(19-3)13(21-5)15(23-7)24-10-8(18-2)6-22-14(17)12(10)20-4/h7-17H,6H2,1-5H3/t7-,8+,9+,10-,11+,12+,13-,14?,15-/m0/s1.
What are the key properties of (2S,3R,4R,5S,6S)-6-[(3R,4S,5R)-2-hydroxy-3,5-dimethoxyoxan-4-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol?
(2S,3R,4R,5S,6S)-6-[(3R,4S,5R)-2-hydroxy-3,5-dimethoxyoxan-4-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol has a molecular weight of 352.38 g/mol, XLogP of -1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6S)-6-[(3R,4S,5R)-2-hydroxy-3,5-dimethoxyoxan-4-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol is sourced from PubChem (CID 91849807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).