ethyl (2R,3S,4S)-3-acetyloxy-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate

C14H22O7 — CID 10662098

IUPACethyl (2R,3S,4S)-3-acetyloxy-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCCOC(=O)C1=C[C@H](OCC)[C@H](OC(C)=O)[C@H](OCC)O1
InChIInChI=1S/C14H22O7/c1-5-17-10-8-11(13(16)18-6-2)21-14(19-7-3)12(10)20-9(4)15/h8,10,12,14H,5-7H2,1-4H3/t10-,12-,14+/m0/s1
InChIKeyWAIFLHGMEYHUQE-VHRBIJSZSA-N
MW302.32 g/mol
LogP1.16
Rot. Bonds7

About ethyl (2R,3S,4S)-3-acetyloxy-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate

ethyl (2R,3S,4S)-3-acetyloxy-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 10662098) has the molecular formula C14H22O7 and a molecular weight of 302.32 g/mol. Its IUPAC name is ethyl (2R,3S,4S)-3-acetyloxy-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S,4S)-3-acetyloxy-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID10662098
Molecular FormulaC14H22O7
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Nameethyl (2R,3S,4S)-3-acetyloxy-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCCOC(=O)C1=C[C@H](OCC)[C@H](OC(C)=O)[C@H](OCC)O1
InChIInChI=1S/C14H22O7/c1-5-17-10-8-11(13(16)18-6-2)21-14(19-7-3)12(10)20-9(4)15/h8,10,12,14H,5-7H2,1-4H3/t10-,12-,14+/m0/s1
InChIKeyWAIFLHGMEYHUQE-VHRBIJSZSA-N
XLogP1.16
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

alpha-D-erythro-Hex-2-enopyranose, 3-deoxy-, tetraacetate
CID 566840
4-deoxy-6-O-methyl-L-threo-hex-4-enopyranuronate
CID 134820351
3,4-dihydroxy-2-propan-2-yloxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 44305447
[(2R,6S)-3-Oxo-6-(propan-2-yloxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 54584293
beta-D-erythro-Hex-2-enopyranose, 3-deoxy-, 1,2,4,6-tetraacetate
CID 102060350
Qlgkdnakgubftf-uhfffaoysa-
CID 13153938
4,6-Dimethoxy-2-methyl-2H-pyran-3(6H)-one
CID 20348359
Tetra-O-acetyl-3-deoxy-alpha-D-erythro-hex-2-enopyranose
CID 22215369
Methyl(methyl-4-deoxybetal-threo-hex-4-enopyranosid)uronate
CID 6421196
Glkjzhblohozcb-gxsjlcmtsa-
CID 11076991
(5-ethoxy-3,3-dimethyl-6-oxo-2H-pyran-2-yl) acetate
CID 12927645
ethyl (4aS,5S,8aS)-5-ethoxy-4,4a,5,8a-tetrahydropyrano[2,3-d][1,3]dioxine-7-carboxylate
CID 10634928

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S,4S)-3-acetyloxy-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of ethyl (2R,3S,4S)-3-acetyloxy-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate (CID 10662098) is ethyl (2R,3S,4S)-3-acetyloxy-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for ethyl (2R,3S,4S)-3-acetyloxy-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for ethyl (2R,3S,4S)-3-acetyloxy-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate is CCOC(=O)C1=C[C@H](OCC)[C@H](OC(C)=O)[C@H](OCC)O1.
What is the InChIKey of ethyl (2R,3S,4S)-3-acetyloxy-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is WAIFLHGMEYHUQE-VHRBIJSZSA-N. The full InChI is InChI=1S/C14H22O7/c1-5-17-10-8-11(13(16)18-6-2)21-14(19-7-3)12(10)20-9(4)15/h8,10,12,14H,5-7H2,1-4H3/t10-,12-,14+/m0/s1.
What are the key properties of ethyl (2R,3S,4S)-3-acetyloxy-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate?
ethyl (2R,3S,4S)-3-acetyloxy-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 302.32 g/mol, XLogP of 1.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S,4S)-3-acetyloxy-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 10662098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).