2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C15H24O9 — CID 161217001

IUPAC2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)OCC(C2OC(=O)C(O)=C2O)O1.CC1(C)OC[C@@H](CO)O1
InChIInChI=1S/C9H12O6.C6H12O3/c1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7;1-6(2)8-4-5(3-7)9-6/h4,7,10-11H,3H2,1-2H3;5,7H,3-4H2,1-2H3/t;5-/m.1/s1
InChIKeyUWZQDTQDRAUUGK-QDXATWJZSA-N
MW348.35 g/mol
LogP0.52
Rot. Bonds2

About 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 161217001) has the molecular formula C15H24O9 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID161217001
Molecular FormulaC15H24O9
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)OCC(C2OC(=O)C(O)=C2O)O1.CC1(C)OC[C@@H](CO)O1
InChIInChI=1S/C9H12O6.C6H12O3/c1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7;1-6(2)8-4-5(3-7)9-6/h4,7,10-11H,3H2,1-2H3;5,7H,3-4H2,1-2H3/t;5-/m.1/s1
InChIKeyUWZQDTQDRAUUGK-QDXATWJZSA-N
XLogP0.52
TPSA123.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one
CID 54676508
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-4-methyl-2H-furan-5-one
CID 118358907
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3-(methoxymethoxy)-2H-furan-5-one
CID 160631514
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-4-[(2-sulfanylidene-1,3,2λ5-dioxaphospholan-2-yl)oxy]-2H-furan-5-one
CID 54716003
(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane
CID 67855478
(2S)-3-[(4-bromophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2H-furan-5-one
CID 28951440
(3S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyoxolane-2,4-dione
CID 51575377
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-2H-furan-5-one
CID 14525638
[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-5-oxo-2H-furan-4-yl] 4-methylbenzenesulfonate
CID 118268443
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 160799627
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethoxy]-2H-furan-5-one
CID 28952075
3-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-8-ethenyl-10-hydroxy-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-6-one
CID 89153278

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 161217001) is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)OCC(C2OC(=O)C(O)=C2O)O1.CC1(C)OC[C@@H](CO)O1.
What is the InChIKey of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is UWZQDTQDRAUUGK-QDXATWJZSA-N. The full InChI is InChI=1S/C9H12O6.C6H12O3/c1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7;1-6(2)8-4-5(3-7)9-6/h4,7,10-11H,3H2,1-2H3;5,7H,3-4H2,1-2H3/t;5-/m.1/s1.
What are the key properties of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 348.35 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 161217001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).