(2S,3R,4S)-3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylic acid

C7H10O6 — CID 11964111

IUPAC(2S,3R,4S)-3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESCO[C@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O
InChIInChI=1S/C7H10O6/c1-12-7-5(9)3(8)2-4(13-7)6(10)11/h2-3,5,7-9H,1H3,(H,10,11)/t3-,5+,7-/m0/s1
InChIKeyILDQSDKXCLSHSM-MFXDHYFJSA-N
MW190.15 g/mol
LogP-1.32
Rot. Bonds2

About (2S,3R,4S)-3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylic acid

(2S,3R,4S)-3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylic acid (PubChem CID 11964111) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is (2S,3R,4S)-3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylic acid.

Molecular Properties

Compound Name(2S,3R,4S)-3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylic acid
PubChem CID11964111
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name(2S,3R,4S)-3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESCO[C@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O
InChIInChI=1S/C7H10O6/c1-12-7-5(9)3(8)2-4(13-7)6(10)11/h2-3,5,7-9H,1H3,(H,10,11)/t3-,5+,7-/m0/s1
InChIKeyILDQSDKXCLSHSM-MFXDHYFJSA-N
XLogP-1.32
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
The IUPAC name of (2S,3R,4S)-3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CID 11964111) is (2S,3R,4S)-3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylic acid.
What is the SMILES notation for (2S,3R,4S)-3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
The canonical SMILES for (2S,3R,4S)-3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylic acid is CO[C@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S)-3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
The InChIKey is ILDQSDKXCLSHSM-MFXDHYFJSA-N. The full InChI is InChI=1S/C7H10O6/c1-12-7-5(9)3(8)2-4(13-7)6(10)11/h2-3,5,7-9H,1H3,(H,10,11)/t3-,5+,7-/m0/s1.
What are the key properties of (2S,3R,4S)-3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
(2S,3R,4S)-3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylic acid has a molecular weight of 190.15 g/mol, XLogP of -1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylic acid is sourced from PubChem (CID 11964111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).