[(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate

C20H18O8 — CID 11338157

IUPAC[(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate
SMILESO=C(Oc1ccccc1)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)Oc1ccccc1
InChIInChI=1S/C20H18O8/c21-19(25-13-7-3-1-4-8-13)27-15-11-23-18-16(12-24-17(15)18)28-20(22)26-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16+,17-,18-/m1/s1
InChIKeyJQGIDWQSPGEBBS-XMTFNYHQSA-N
MW386.36 g/mol
LogP2.95
Rot. Bonds4

About [(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate

[(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate (PubChem CID 11338157) has the molecular formula C20H18O8 and a molecular weight of 386.36 g/mol. Its IUPAC name is [(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate.

Molecular Properties

Compound Name[(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate
PubChem CID11338157
Molecular FormulaC20H18O8
Molecular Weight386.36 g/mol
Exact Mass386.10
IUPAC Name[(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate
SMILESO=C(Oc1ccccc1)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)Oc1ccccc1
InChIInChI=1S/C20H18O8/c21-19(25-13-7-3-1-4-8-13)27-15-11-23-18-16(12-24-17(15)18)28-20(22)26-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16+,17-,18-/m1/s1
InChIKeyJQGIDWQSPGEBBS-XMTFNYHQSA-N
XLogP2.95
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze [(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate with MolForge

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Related Compounds

[(3S,3aR,6R,6aR)-3-carboxyoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] hydrogen carbonate;1,1'-biphenyl
CID 118173862
[(3S,3aR,6R,6aR)-6-benzoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] benzoate
CID 90257226
[(3R,3aS,6R,6aS)-6-benzoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] benzoate
CID 70003334
(3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 22808602
[(3S,3aR,6S,6aR)-6-carboxyoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] hydrogen carbonate
CID 118173855
[(3S,3aR,6R,6aR)-6-(2-methylbenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylbenzoate
CID 167745304
[(3S,3aR,6R,6aR)-6-[4-[(E)-2-(4-methoxycarbonyloxyphenyl)ethenyl]benzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(E)-2-(4-methoxycarbonyloxyphenyl)ethenyl]benzoate
CID 122417116
3,4-dihydro-2H-chromen-2-yl phenyl carbonate
CID 54471598
[(3R)-6-[4-(4-methylbenzoyl)oxybenzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-methylbenzoate
CID 89326751
3-[(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxycarbonyl]benzoic acid
CID 20727104
[(3S,3aS,6R,6aS)-6-(furan-2-carbonyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] furan-2-carboxylate
CID 7075036
[(3S,3aR,6S,6aS)-6-(furan-2-carbonyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] furan-2-carboxylate
CID 11872133

Frequently Asked Questions

What is the IUPAC name of [(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate?
The IUPAC name of [(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate (CID 11338157) is [(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate.
What is the SMILES notation for [(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate?
The canonical SMILES for [(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate is O=C(Oc1ccccc1)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)Oc1ccccc1.
What is the InChIKey of [(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate?
The InChIKey is JQGIDWQSPGEBBS-XMTFNYHQSA-N. The full InChI is InChI=1S/C20H18O8/c21-19(25-13-7-3-1-4-8-13)27-15-11-23-18-16(12-24-17(15)18)28-20(22)26-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16+,17-,18-/m1/s1.
What are the key properties of [(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate?
[(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate has a molecular weight of 386.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate is sourced from PubChem (CID 11338157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).