3,4-dihydroxy-2-[(4S)-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-1,3-dioxolan-4-yl]-2H-furan-5-one

C20H24O8 — CID 54718507

IUPAC3,4-dihydroxy-2-[(4S)-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-1,3-dioxolan-4-yl]-2H-furan-5-one
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C1OC[C@@H](C3OC(=O)C(O)=C3O)O1)O2
InChIInChI=1S/C20H24O8/c1-8-9(2)16-11(10(3)13(8)21)5-6-20(4,28-16)19-25-7-12(26-19)17-14(22)15(23)18(24)27-17/h12,17,19,21-23H,5-7H2,1-4H3/t12-,17?,19?,20?/m0/s1
InChIKeyJNOCJHMEQYILRN-CIYZWZSOSA-N
MW392.40 g/mol
LogP2.40
Rot. Bonds2

About 3,4-dihydroxy-2-[(4S)-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-1,3-dioxolan-4-yl]-2H-furan-5-one

3,4-dihydroxy-2-[(4S)-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-1,3-dioxolan-4-yl]-2H-furan-5-one (PubChem CID 54718507) has the molecular formula C20H24O8 and a molecular weight of 392.40 g/mol. Its IUPAC name is 3,4-dihydroxy-2-[(4S)-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-1,3-dioxolan-4-yl]-2H-furan-5-one.

Molecular Properties

Compound Name3,4-dihydroxy-2-[(4S)-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-1,3-dioxolan-4-yl]-2H-furan-5-one
PubChem CID54718507
Molecular FormulaC20H24O8
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC Name3,4-dihydroxy-2-[(4S)-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-1,3-dioxolan-4-yl]-2H-furan-5-one
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C1OC[C@@H](C3OC(=O)C(O)=C3O)O1)O2
InChIInChI=1S/C20H24O8/c1-8-9(2)16-11(10(3)13(8)21)5-6-20(4,28-16)19-25-7-12(26-19)17-14(22)15(23)18(24)27-17/h12,17,19,21-23H,5-7H2,1-4H3/t12-,17?,19?,20?/m0/s1
InChIKeyJNOCJHMEQYILRN-CIYZWZSOSA-N
XLogP2.40
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3,4-dihydroxy-2-[(4S)-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-1,3-dioxolan-4-yl]-2H-furan-5-one with MolForge

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Related Compounds

5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol
CID 11543196
1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone
CID 59879197
1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol
CID 10085530
1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one
CID 72523898
1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one
CID 145405922
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one
CID 54676508
(2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 59125262
2-bromo-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde
CID 87890937
(2R)-6-hydroxy-N',N',2,5,7,8-hexamethyl-3,4-dihydrochromene-2-carbohydrazide
CID 11779110
2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol
CID 69454131
(2S)-6-hydroxy-2,5,7,8-tetramethyl-N-[(3R)-piperidin-3-yl]-3,4-dihydrochromene-2-carboxamide
CID 72710875
2,2-bis[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]butanedioic acid
CID 70487908

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-2-[(4S)-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-1,3-dioxolan-4-yl]-2H-furan-5-one?
The IUPAC name of 3,4-dihydroxy-2-[(4S)-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-1,3-dioxolan-4-yl]-2H-furan-5-one (CID 54718507) is 3,4-dihydroxy-2-[(4S)-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-1,3-dioxolan-4-yl]-2H-furan-5-one.
What is the SMILES notation for 3,4-dihydroxy-2-[(4S)-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-1,3-dioxolan-4-yl]-2H-furan-5-one?
The canonical SMILES for 3,4-dihydroxy-2-[(4S)-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-1,3-dioxolan-4-yl]-2H-furan-5-one is Cc1c(C)c2c(c(C)c1O)CCC(C)(C1OC[C@@H](C3OC(=O)C(O)=C3O)O1)O2.
What is the InChIKey of 3,4-dihydroxy-2-[(4S)-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-1,3-dioxolan-4-yl]-2H-furan-5-one?
The InChIKey is JNOCJHMEQYILRN-CIYZWZSOSA-N. The full InChI is InChI=1S/C20H24O8/c1-8-9(2)16-11(10(3)13(8)21)5-6-20(4,28-16)19-25-7-12(26-19)17-14(22)15(23)18(24)27-17/h12,17,19,21-23H,5-7H2,1-4H3/t12-,17?,19?,20?/m0/s1.
What are the key properties of 3,4-dihydroxy-2-[(4S)-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-1,3-dioxolan-4-yl]-2H-furan-5-one?
3,4-dihydroxy-2-[(4S)-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-1,3-dioxolan-4-yl]-2H-furan-5-one has a molecular weight of 392.40 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-2-[(4S)-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-1,3-dioxolan-4-yl]-2H-furan-5-one is sourced from PubChem (CID 54718507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).