(1R,5'S,8S,9R,10R)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione

C19H20O7 — CID 163195110

IUPAC(1R,5'S,8S,9R,10R)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione
SMILESC[C@@H]1C[C@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](C1=C[C@H](O)OC1=O)OC2=O
InChIInChI=1S/C19H20O7/c1-8-5-12-15-9(16(21)24-12)3-2-4-11(15)19(8)7-13(25-18(19)23)10-6-14(20)26-17(10)22/h6,8,11-14,20H,2-5,7H2,1H3/t8-,11+,12-,13+,14-,19-/m1/s1
InChIKeyKSHGBTGXIQFWKH-LMPHNHLCSA-N
MW360.36 g/mol
LogP1.15
Rot. Bonds1

About (1R,5'S,8S,9R,10R)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione

(1R,5'S,8S,9R,10R)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione (PubChem CID 163195110) has the molecular formula C19H20O7 and a molecular weight of 360.36 g/mol. Its IUPAC name is (1R,5'S,8S,9R,10R)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione.

Molecular Properties

Compound Name(1R,5'S,8S,9R,10R)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione
PubChem CID163195110
Molecular FormulaC19H20O7
Molecular Weight360.36 g/mol
Exact Mass360.12
IUPAC Name(1R,5'S,8S,9R,10R)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione
SMILESC[C@@H]1C[C@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](C1=C[C@H](O)OC1=O)OC2=O
InChIInChI=1S/C19H20O7/c1-8-5-12-15-9(16(21)24-12)3-2-4-11(15)19(8)7-13(25-18(19)23)10-6-14(20)26-17(10)22/h6,8,11-14,20H,2-5,7H2,1H3/t8-,11+,12-,13+,14-,19-/m1/s1
InChIKeyKSHGBTGXIQFWKH-LMPHNHLCSA-N
XLogP1.15
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze (1R,5'S,8S,9R,10R)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione with MolForge

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Related Compounds

(1S,5'S,8R,9R,10R)-5'-(furan-2-yl)-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione
CID 162966136
(1R,3R,4R,4aS,5'R)-5'-(furan-3-yl)-1-hydroxy-8-(hydroxymethyl)-3-methylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-4,3'-oxolane]-2'-one
CID 10735323
[(1R,3R,4R,4aS)-5'-(furan-3-yl)-8-(hydroxymethyl)-3-methyl-2'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-4,3'-oxolane]-1-yl] acetate
CID 23928128
5'-(furan-3-yl)-1-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione
CID 156602876
(1S,4R,5'R,8R,9R,10R,12R)-5'-(furan-3-yl)-12-(hydroxymethyl)-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodecane-9,3'-oxolane]-2',3-dione
CID 162992215
methyl 9-acetyloxy-2-(2-hydroxy-5-oxo-2H-furan-4-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
CID 162940407
(2R)-4-ethyl-2-hydroxy-2H-furan-5-one
CID 124583750
6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one
CID 162896194
2-hydroxy-4-methyl-2H-furan-5-one
CID 5279300
5'-(furan-3-yl)-2-hydroxy-11-(hydroxymethyl)-4-methylspiro[9-oxatricyclo[6.2.2.01,6]dodec-11-ene-5,3'-oxolane]-2'-one
CID 163095198
(1S,8S,10R,12R)-10-[(2S)-2-[(2S)-2-hydroxy-5-oxo-2H-furan-4-yl]-2,3-dihydrofuran-4-yl]-10,12-dimethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4-en-3-one
CID 162869866
(3aS,5'S,6aS,7R,8S,10S,10aR)-5'-(furan-2-yl)-3a,10-dihydroxy-8-methylspiro[1,6,6a,8,9,10-hexahydrobenzo[d][2]benzofuran-7,3'-oxolane]-2',3-dione
CID 163044116

Frequently Asked Questions

What is the IUPAC name of (1R,5'S,8S,9R,10R)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione?
The IUPAC name of (1R,5'S,8S,9R,10R)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione (CID 163195110) is (1R,5'S,8S,9R,10R)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione.
What is the SMILES notation for (1R,5'S,8S,9R,10R)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione?
The canonical SMILES for (1R,5'S,8S,9R,10R)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione is C[C@@H]1C[C@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](C1=C[C@H](O)OC1=O)OC2=O.
What is the InChIKey of (1R,5'S,8S,9R,10R)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione?
The InChIKey is KSHGBTGXIQFWKH-LMPHNHLCSA-N. The full InChI is InChI=1S/C19H20O7/c1-8-5-12-15-9(16(21)24-12)3-2-4-11(15)19(8)7-13(25-18(19)23)10-6-14(20)26-17(10)22/h6,8,11-14,20H,2-5,7H2,1H3/t8-,11+,12-,13+,14-,19-/m1/s1.
What are the key properties of (1R,5'S,8S,9R,10R)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione?
(1R,5'S,8S,9R,10R)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione has a molecular weight of 360.36 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5'S,8S,9R,10R)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione is sourced from PubChem (CID 163195110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).