[(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate

C12H18O8 — CID 121015837

IUPAC[(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate
SMILESCC(=O)O[C@H]1COCO[C@H]1[C@H]1OCOC[C@H]1OC(C)=O
InChIInChI=1S/C12H18O8/c1-7(13)19-9-3-15-5-17-11(9)12-10(20-8(2)14)4-16-6-18-12/h9-12H,3-6H2,1-2H3/t9-,10+,11+,12-
InChIKeyWMHRRVBQPGIKPD-IWDIQUIJSA-N
MW290.27 g/mol
LogP-0.40
Rot. Bonds3

About [(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate

[(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate (PubChem CID 121015837) has the molecular formula C12H18O8 and a molecular weight of 290.27 g/mol. Its IUPAC name is [(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate.

Molecular Properties

Compound Name[(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate
PubChem CID121015837
Molecular FormulaC12H18O8
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name[(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate
SMILESCC(=O)O[C@H]1COCO[C@H]1[C@H]1OCOC[C@H]1OC(C)=O
InChIInChI=1S/C12H18O8/c1-7(13)19-9-3-15-5-17-11(9)12-10(20-8(2)14)4-16-6-18-12/h9-12H,3-6H2,1-2H3/t9-,10+,11+,12-
InChIKeyWMHRRVBQPGIKPD-IWDIQUIJSA-N
XLogP-0.40
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate with MolForge

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Related Compounds

[4-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,3-dioxan-5-yl] acetate
CID 538356
[(3S,3aR,6R,6aR)-6-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate
CID 118973915
[(3S,3aR,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate
CID 11183884
[(3R,3aR,6S,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate
CID 22862650
[(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate
CID 100966636
(4-hydroxyoxolan-3-yl) acetate
CID 14785283
[(3R,3aR,6S,6aR)-3-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (Z)-3-aminobut-2-enoate
CID 70442744
[(3R,3aR,6S,6aS)-6-(trifluoromethylsulfonyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate
CID 101489532
[(3R,4S,5S)-4-acetyloxy-5-methoxyoxan-3-yl] acetate
CID 6428305
[(3R,3aR,6R,6aR)-3-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-chloro-4-oxobutanoate
CID 144610416
[(3R,4S,5R,6R)-4,5,6-triacetyloxyoxan-3-yl] acetate
CID 12907258
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265

Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate?
The IUPAC name of [(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate (CID 121015837) is [(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate.
What is the SMILES notation for [(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate?
The canonical SMILES for [(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate is CC(=O)O[C@H]1COCO[C@H]1[C@H]1OCOC[C@H]1OC(C)=O.
What is the InChIKey of [(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate?
The InChIKey is WMHRRVBQPGIKPD-IWDIQUIJSA-N. The full InChI is InChI=1S/C12H18O8/c1-7(13)19-9-3-15-5-17-11(9)12-10(20-8(2)14)4-16-6-18-12/h9-12H,3-6H2,1-2H3/t9-,10+,11+,12-.
What are the key properties of [(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate?
[(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate has a molecular weight of 290.27 g/mol, XLogP of -0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate is sourced from PubChem (CID 121015837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).