7-[[(7R,9R,10R)-10-methoxy-9-methyl-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-4,8-dimethylchromen-2-one

C22H29O6P — CID 59071270

IUPAC7-[[(7R,9R,10R)-10-methoxy-9-methyl-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-4,8-dimethylchromen-2-one
SMILESCO[C@@H]1[C@@H](C)C(OP)[C@H](Oc2ccc3c(C)cc(=O)oc3c2C)OC12CCCC2
InChIInChI=1S/C22H29O6P/c1-12-11-17(23)26-18-13(2)16(8-7-15(12)18)25-21-19(28-29)14(3)20(24-4)22(27-21)9-5-6-10-22/h7-8,11,14,19-21H,5-6,9-10,29H2,1-4H3/t14-,19?,20+,21+/m0/s1
InChIKeyWSEZJWAHGWQTDB-QVDKGDQISA-N
MW420.44 g/mol
LogP4.28
Rot. Bonds4

About 7-[[(7R,9R,10R)-10-methoxy-9-methyl-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-4,8-dimethylchromen-2-one

7-[[(7R,9R,10R)-10-methoxy-9-methyl-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-4,8-dimethylchromen-2-one (PubChem CID 59071270) has the molecular formula C22H29O6P and a molecular weight of 420.44 g/mol. Its IUPAC name is 7-[[(7R,9R,10R)-10-methoxy-9-methyl-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-4,8-dimethylchromen-2-one.

Molecular Properties

Compound Name7-[[(7R,9R,10R)-10-methoxy-9-methyl-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-4,8-dimethylchromen-2-one
PubChem CID59071270
Molecular FormulaC22H29O6P
Molecular Weight420.44 g/mol
Exact Mass420.17
IUPAC Name7-[[(7R,9R,10R)-10-methoxy-9-methyl-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-4,8-dimethylchromen-2-one
SMILESCO[C@@H]1[C@@H](C)C(OP)[C@H](Oc2ccc3c(C)cc(=O)oc3c2C)OC12CCCC2
InChIInChI=1S/C22H29O6P/c1-12-11-17(23)26-18-13(2)16(8-7-15(12)18)25-21-19(28-29)14(3)20(24-4)22(27-21)9-5-6-10-22/h7-8,11,14,19-21H,5-6,9-10,29H2,1-4H3/t14-,19?,20+,21+/m0/s1
InChIKeyWSEZJWAHGWQTDB-QVDKGDQISA-N
XLogP4.28
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[[(7R,9R,10R)-10-methoxy-9-methyl-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-4,8-dimethylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-7-[[(7R,9R,10R)-9-hydroxy-10-methoxy-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-3-(N-methoxy-C-methylcarbonimidoyl)-8-methylchromen-2-one
CID 136648882
4,8-dimethyl-7-[(1R)-2-oxocyclohexyl]oxychromen-2-one
CID 907360
3-acetyl-4-hydroxy-7-[(9-hydroxy-10-methoxy-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl)oxy]-8-methylchromen-2-one;3-acetyl-4-hydroxy-7-[[(9R)-10-methoxy-9-methyl-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-8-methylchromen-2-one;[(7R,8R,9S,10R)-8-hydroxy-7-[4-hydroxy-3-[(E)-N-methoxy-C-methylcarbonimidoyl]-8-methyl-2-oxochromen-7-yl]oxy-10-methoxy-6-oxaspiro[4.5]decan-9-yl] N-prop-2-ynoxycarbamate;4-hydroxy-7-[(9-hydroxy-10-methoxy-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl)oxy]-3-[(E)-N-methoxy-C-methylcarbonimidoyl]-8-methylchromen-2-one;O-prop-2-ynylhydroxylamine;tris(tritium monohydride);hydrochloride
CID 172917296
4-benzhydryloxy-7-[(3R,4S,5R,6S)-6-ethyl-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy-8-methylchromen-2-one
CID 59047948
(4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate
CID 56839646
7-[[(3aR,6S,7R,7aR)-6-ethyl-6,7-dimethyl-2-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-hydroxy-8-methylchromen-2-one
CID 59071269
[(3S,4S,5R,6R)-5-hydroxy-3-methoxy-2,2-dimethyl-6-(8-methyl-2-oxo-4-piperazin-1-ylchromen-7-yl)oxyoxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate
CID 101112592
4,8-dimethyl-7-(3-oxobutan-2-yloxy)chromen-2-one
CID 4914824
[(3R,4S,5R,6R)-6-[4-(2-azidoethoxy)-8-methyl-2-oxochromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate
CID 100940023
(10R)-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97046015
4-ethyl-8-methyl-7-[(1S)-2-oxocyclohexyl]oxychromen-2-one
CID 770819
4-hydroxy-7-methoxy-8-methylchromen-2-one
CID 54728807

Frequently Asked Questions

What is the IUPAC name of 7-[[(7R,9R,10R)-10-methoxy-9-methyl-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-4,8-dimethylchromen-2-one?
The IUPAC name of 7-[[(7R,9R,10R)-10-methoxy-9-methyl-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-4,8-dimethylchromen-2-one (CID 59071270) is 7-[[(7R,9R,10R)-10-methoxy-9-methyl-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-4,8-dimethylchromen-2-one.
What is the SMILES notation for 7-[[(7R,9R,10R)-10-methoxy-9-methyl-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-4,8-dimethylchromen-2-one?
The canonical SMILES for 7-[[(7R,9R,10R)-10-methoxy-9-methyl-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-4,8-dimethylchromen-2-one is CO[C@@H]1[C@@H](C)C(OP)[C@H](Oc2ccc3c(C)cc(=O)oc3c2C)OC12CCCC2.
What is the InChIKey of 7-[[(7R,9R,10R)-10-methoxy-9-methyl-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-4,8-dimethylchromen-2-one?
The InChIKey is WSEZJWAHGWQTDB-QVDKGDQISA-N. The full InChI is InChI=1S/C22H29O6P/c1-12-11-17(23)26-18-13(2)16(8-7-15(12)18)25-21-19(28-29)14(3)20(24-4)22(27-21)9-5-6-10-22/h7-8,11,14,19-21H,5-6,9-10,29H2,1-4H3/t14-,19?,20+,21+/m0/s1.
What are the key properties of 7-[[(7R,9R,10R)-10-methoxy-9-methyl-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-4,8-dimethylchromen-2-one?
7-[[(7R,9R,10R)-10-methoxy-9-methyl-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-4,8-dimethylchromen-2-one has a molecular weight of 420.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(7R,9R,10R)-10-methoxy-9-methyl-8-phosphanyloxy-6-oxaspiro[4.5]decan-7-yl]oxy]-4,8-dimethylchromen-2-one is sourced from PubChem (CID 59071270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).