(2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid

C10H20O6 — CID 101261454

IUPAC(2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid
SMILESCOC[C@@H](OC)[C@H](C[C@@H](OC)C(=O)O)OC
InChIInChI=1S/C10H20O6/c1-13-6-9(16-4)7(14-2)5-8(15-3)10(11)12/h7-9H,5-6H2,1-4H3,(H,11,12)/t7-,8+,9+/m0/s1
InChIKeyQUCHXVWUBGAOSU-DJLDLDEBSA-N
MW236.26 g/mol
LogP0.15
Rot. Bonds9

About (2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid

(2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid (PubChem CID 101261454) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid.

Molecular Properties

Compound Name(2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid
PubChem CID101261454
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid
SMILESCOC[C@@H](OC)[C@H](C[C@@H](OC)C(=O)O)OC
InChIInChI=1S/C10H20O6/c1-13-6-9(16-4)7(14-2)5-8(15-3)10(11)12/h7-9H,5-6H2,1-4H3,(H,11,12)/t7-,8+,9+/m0/s1
InChIKeyQUCHXVWUBGAOSU-DJLDLDEBSA-N
XLogP0.15
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-methoxy-4-methylpentanoic acid
CID 89093087
(2R)-3-hydroxy-2-methoxypropanoic acid
CID 20849197
methyl 2,4,5,6,7-pentamethoxyheptanoate
CID 582206
2,3-dihydroxy-4,5-dimethoxypentanoic acid
CID 22664319
(2R)-2-aminooxy-3-methoxypropanoic acid
CID 124680851
(2R,3S,4S,5R)-2,4-dihydroxy-3,5,6-trimethoxyhexanoic acid
CID 25209635
2,7-dimethoxyoctanedioic acid
CID 22717305
(3S)-1,2,3-trimethoxypentane
CID 167509153
3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid
CID 103223987
2-(2-hydroxyethoxy)-3-methoxypropanoic acid
CID 168724097
(E)-2-methoxy-7-methyloct-4-enoic acid
CID 14570358
(2R)-4-amino-2-methoxybutanoic acid
CID 124508923

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid?
The IUPAC name of (2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid (CID 101261454) is (2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid.
What is the SMILES notation for (2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid?
The canonical SMILES for (2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid is COC[C@@H](OC)[C@H](C[C@@H](OC)C(=O)O)OC.
What is the InChIKey of (2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid?
The InChIKey is QUCHXVWUBGAOSU-DJLDLDEBSA-N. The full InChI is InChI=1S/C10H20O6/c1-13-6-9(16-4)7(14-2)5-8(15-3)10(11)12/h7-9H,5-6H2,1-4H3,(H,11,12)/t7-,8+,9+/m0/s1.
What are the key properties of (2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid?
(2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid has a molecular weight of 236.26 g/mol, XLogP of 0.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid is sourced from PubChem (CID 101261454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).