(2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione

C12H14O5 — CID 146683009

IUPAC(2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione
SMILESCCCc1cc2c(c(=O)o1)C(=O)[C@@H](O)[C@H](C)O2
InChIInChI=1S/C12H14O5/c1-3-4-7-5-8-9(12(15)17-7)11(14)10(13)6(2)16-8/h5-6,10,13H,3-4H2,1-2H3/t6-,10-/m0/s1
InChIKeyBSUSLLVRDNRCFE-WKEGUHRASA-N
MW238.24 g/mol
LogP0.92
Rot. Bonds2

About (2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione

(2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione (PubChem CID 146683009) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione
PubChem CID146683009
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name(2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione
SMILESCCCc1cc2c(c(=O)o1)C(=O)[C@@H](O)[C@H](C)O2
InChIInChI=1S/C12H14O5/c1-3-4-7-5-8-9(12(15)17-7)11(14)10(13)6(2)16-8/h5-6,10,13H,3-4H2,1-2H3/t6-,10-/m0/s1
InChIKeyBSUSLLVRDNRCFE-WKEGUHRASA-N
XLogP0.92
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione?
The IUPAC name of (2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione (CID 146683009) is (2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione.
What is the SMILES notation for (2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione?
The canonical SMILES for (2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione is CCCc1cc2c(c(=O)o1)C(=O)[C@@H](O)[C@H](C)O2.
What is the InChIKey of (2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione?
The InChIKey is BSUSLLVRDNRCFE-WKEGUHRASA-N. The full InChI is InChI=1S/C12H14O5/c1-3-4-7-5-8-9(12(15)17-7)11(14)10(13)6(2)16-8/h5-6,10,13H,3-4H2,1-2H3/t6-,10-/m0/s1.
What are the key properties of (2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione?
(2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione has a molecular weight of 238.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-2-methyl-7-propyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione is sourced from PubChem (CID 146683009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).