(4R)-4-[(1S)-1-hydroxyethyl]-1,4,5,6-tetrahydropyrano[3,4-c]pyran-3,8-dione

C10H12O5 — CID 162953277

IUPAC(4R)-4-[(1S)-1-hydroxyethyl]-1,4,5,6-tetrahydropyrano[3,4-c]pyran-3,8-dione
SMILESC[C@H](O)[C@@H]1C(=O)OCC2=C1CCOC2=O
InChIInChI=1S/C10H12O5/c1-5(11)8-6-2-3-14-9(12)7(6)4-15-10(8)13/h5,8,11H,2-4H2,1H3/t5-,8-/m0/s1
InChIKeyYMHFOVZNDVWJCE-XNCJUZBTSA-N
MW212.20 g/mol
LogP-0.22
Rot. Bonds1

About (4R)-4-[(1S)-1-hydroxyethyl]-1,4,5,6-tetrahydropyrano[3,4-c]pyran-3,8-dione

(4R)-4-[(1S)-1-hydroxyethyl]-1,4,5,6-tetrahydropyrano[3,4-c]pyran-3,8-dione (PubChem CID 162953277) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-hydroxyethyl]-1,4,5,6-tetrahydropyrano[3,4-c]pyran-3,8-dione.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-hydroxyethyl]-1,4,5,6-tetrahydropyrano[3,4-c]pyran-3,8-dione
PubChem CID162953277
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name(4R)-4-[(1S)-1-hydroxyethyl]-1,4,5,6-tetrahydropyrano[3,4-c]pyran-3,8-dione
SMILESC[C@H](O)[C@@H]1C(=O)OCC2=C1CCOC2=O
InChIInChI=1S/C10H12O5/c1-5(11)8-6-2-3-14-9(12)7(6)4-15-10(8)13/h5,8,11H,2-4H2,1H3/t5-,8-/m0/s1
InChIKeyYMHFOVZNDVWJCE-XNCJUZBTSA-N
XLogP-0.22
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-4-[(1S)-1-hydroxyethyl]-1,4,5,6-tetrahydropyrano[3,4-c]pyran-3,8-dione with MolForge

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Related Compounds

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3-(1-hydroxyethyl)oxepan-2-one
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(4E)-4-ethylidene-3-(1-hydroxypropyl)oxolan-2-one
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(3S,4S)-3-methyl-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5,6-tetrahydro-1H-pyrano[3,4-c]pyran-8-one
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3-(3-methylbut-1-enylidene)oxolan-2-one
CID 135018805
4-(1-hydroxyethyl)oxolan-2-one
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3,6-dimethyl-6-propan-2-yloxan-2-one
CID 140976692
4-hydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-one
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5-(2-hydroxypropyl)-2,3-dihydropyran-6-one
CID 174851296
(3E)-3-(1-methylpiperidin-2-ylidene)oxolan-2-one
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4-(1-hydroxyethyl)-4H-isochromene-1,3-dione
CID 177255970

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-hydroxyethyl]-1,4,5,6-tetrahydropyrano[3,4-c]pyran-3,8-dione?
The IUPAC name of (4R)-4-[(1S)-1-hydroxyethyl]-1,4,5,6-tetrahydropyrano[3,4-c]pyran-3,8-dione (CID 162953277) is (4R)-4-[(1S)-1-hydroxyethyl]-1,4,5,6-tetrahydropyrano[3,4-c]pyran-3,8-dione.
What is the SMILES notation for (4R)-4-[(1S)-1-hydroxyethyl]-1,4,5,6-tetrahydropyrano[3,4-c]pyran-3,8-dione?
The canonical SMILES for (4R)-4-[(1S)-1-hydroxyethyl]-1,4,5,6-tetrahydropyrano[3,4-c]pyran-3,8-dione is C[C@H](O)[C@@H]1C(=O)OCC2=C1CCOC2=O.
What is the InChIKey of (4R)-4-[(1S)-1-hydroxyethyl]-1,4,5,6-tetrahydropyrano[3,4-c]pyran-3,8-dione?
The InChIKey is YMHFOVZNDVWJCE-XNCJUZBTSA-N. The full InChI is InChI=1S/C10H12O5/c1-5(11)8-6-2-3-14-9(12)7(6)4-15-10(8)13/h5,8,11H,2-4H2,1H3/t5-,8-/m0/s1.
What are the key properties of (4R)-4-[(1S)-1-hydroxyethyl]-1,4,5,6-tetrahydropyrano[3,4-c]pyran-3,8-dione?
(4R)-4-[(1S)-1-hydroxyethyl]-1,4,5,6-tetrahydropyrano[3,4-c]pyran-3,8-dione has a molecular weight of 212.20 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-hydroxyethyl]-1,4,5,6-tetrahydropyrano[3,4-c]pyran-3,8-dione is sourced from PubChem (CID 162953277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).