(3aR,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid

C8H12O6 — CID 10856589

IUPAC(3aR,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
SMILESCC1(C)O[C@@H]2[C@@H](C(=O)O)OC(O)[C@@H]2O1
InChIInChI=1S/C8H12O6/c1-8(2)13-3-4(6(9)10)12-7(11)5(3)14-8/h3-5,7,11H,1-2H3,(H,9,10)/t3-,4+,5-,7?/m1/s1
InChIKeyFAKXAHAZULMTIP-QGOIGLFOSA-N
MW204.18 g/mol
LogP-0.69
Rot. Bonds1

About (3aR,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid

(3aR,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid (PubChem CID 10856589) has the molecular formula C8H12O6 and a molecular weight of 204.18 g/mol. Its IUPAC name is (3aR,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid.

Molecular Properties

Compound Name(3aR,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
PubChem CID10856589
Molecular FormulaC8H12O6
Molecular Weight204.18 g/mol
Exact Mass204.06
IUPAC Name(3aR,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
SMILESCC1(C)O[C@@H]2[C@@H](C(=O)O)OC(O)[C@@H]2O1
InChIInChI=1S/C8H12O6/c1-8(2)13-3-4(6(9)10)12-7(11)5(3)14-8/h3-5,7,11H,1-2H3,(H,9,10)/t3-,4+,5-,7?/m1/s1
InChIKeyFAKXAHAZULMTIP-QGOIGLFOSA-N
XLogP-0.69
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3aR,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid 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

(2R,3R,3aR,6R,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 2724333
6-Hydroxymethyl-2,2-dimethyl-dihydro-furo(3,4-d)(1,3)dioxol-4-one
CID 500172
2,3-O-Isopropylidene-D-ribonolactone
CID 1268067
Mannurono-gamma-lactone
CID 3483
beta-D-Glucurono-gamma-lactone
CID 6971257
(3S,3AR,6R,6aR)-3,5,6-trihydroxytetrahydrofuro[3,2-b]furan-2(3H)-one
CID 11116575
D-mannofuranurono-6,3-lactone
CID 11126795
azane;(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid
CID 145948451
azane;(2S,3S,4S,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid
CID 145948455
2-(Hydroxymethyl)-8,8-dimethyl-3,7,9-trioxaspiro[4.4]nonan-4-one
CID 504287
(2S,3R,3aR,6S,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 6971256
4-Methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
CID 390961

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid?
The IUPAC name of (3aR,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid (CID 10856589) is (3aR,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid.
What is the SMILES notation for (3aR,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid?
The canonical SMILES for (3aR,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid is CC1(C)O[C@@H]2[C@@H](C(=O)O)OC(O)[C@@H]2O1.
What is the InChIKey of (3aR,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid?
The InChIKey is FAKXAHAZULMTIP-QGOIGLFOSA-N. The full InChI is InChI=1S/C8H12O6/c1-8(2)13-3-4(6(9)10)12-7(11)5(3)14-8/h3-5,7,11H,1-2H3,(H,9,10)/t3-,4+,5-,7?/m1/s1.
What are the key properties of (3aR,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid?
(3aR,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid has a molecular weight of 204.18 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid is sourced from PubChem (CID 10856589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).