5-hydroxy-2,4-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanoic acid

C14H26O10 — CID 134354525

IUPAC5-hydroxy-2,4-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanoic acid
SMILESCOC(C(=O)O)C(OC1OC(C)C(O)C(O)C1O)C(OC)C(C)O
InChIInChI=1S/C14H26O10/c1-5(15)10(21-3)11(12(22-4)13(19)20)24-14-9(18)8(17)7(16)6(2)23-14/h5-12,14-18H,1-4H3,(H,19,20)
InChIKeyIBHBNNHRRZDHAQ-UHFFFAOYSA-N
MW354.35 g/mol
LogP-2.31
Rot. Bonds8

About 5-hydroxy-2,4-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanoic acid

5-hydroxy-2,4-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanoic acid (PubChem CID 134354525) has the molecular formula C14H26O10 and a molecular weight of 354.35 g/mol. Its IUPAC name is 5-hydroxy-2,4-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanoic acid.

Molecular Properties

Compound Name5-hydroxy-2,4-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanoic acid
PubChem CID134354525
Molecular FormulaC14H26O10
Molecular Weight354.35 g/mol
Exact Mass354.15
IUPAC Name5-hydroxy-2,4-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanoic acid
SMILESCOC(C(=O)O)C(OC1OC(C)C(O)C(O)C1O)C(OC)C(C)O
InChIInChI=1S/C14H26O10/c1-5(15)10(21-3)11(12(22-4)13(19)20)24-14-9(18)8(17)7(16)6(2)23-14/h5-12,14-18H,1-4H3,(H,19,20)
InChIKeyIBHBNNHRRZDHAQ-UHFFFAOYSA-N
XLogP-2.31
TPSA155.14 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 5-2.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

2,3,5-trihydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanoic acid
CID 167249513
(2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol
CID 171600108
3-[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybutanoic acid
CID 58546574
(2R,3S,4S,5S)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyhexanal
CID 121434178
(2R,3S,4R,5R)-3,5,6-trihydroxy-2,4-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]hexanal
CID 89454391
3-[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentanoic acid
CID 90162016
(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482
(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 12904923
(2R,5R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 59892948
(2R,3S,4S,5S)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyhexanal
CID 121434299
N-[4,5,6-trihydroxy-1-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexan-2-yl]acetamide
CID 53431984
(2R,3S,4S)-4,5,6-trihydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexanal
CID 53477865

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,4-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanoic acid?
The IUPAC name of 5-hydroxy-2,4-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanoic acid (CID 134354525) is 5-hydroxy-2,4-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanoic acid.
What is the SMILES notation for 5-hydroxy-2,4-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanoic acid?
The canonical SMILES for 5-hydroxy-2,4-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanoic acid is COC(C(=O)O)C(OC1OC(C)C(O)C(O)C1O)C(OC)C(C)O.
What is the InChIKey of 5-hydroxy-2,4-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanoic acid?
The InChIKey is IBHBNNHRRZDHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O10/c1-5(15)10(21-3)11(12(22-4)13(19)20)24-14-9(18)8(17)7(16)6(2)23-14/h5-12,14-18H,1-4H3,(H,19,20).
What are the key properties of 5-hydroxy-2,4-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanoic acid?
5-hydroxy-2,4-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanoic acid has a molecular weight of 354.35 g/mol, XLogP of -2.31, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,4-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexanoic acid is sourced from PubChem (CID 134354525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).