(2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol

C8H14O5 — CID 129085380

IUPAC(2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol
SMILESCC1OC[C@H]([C@H]2OC[C@@H](O)C2O)O1
InChIInChI=1S/C8H14O5/c1-4-11-3-6(13-4)8-7(10)5(9)2-12-8/h4-10H,2-3H2,1H3/t4?,5-,6-,7?,8-/m1/s1
InChIKeyYXCKQODAKDAJNH-DJSSTOROSA-N
MW190.19 g/mol
LogP-1.13
Rot. Bonds1

About (2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol

(2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol (PubChem CID 129085380) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol
PubChem CID129085380
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol
SMILESCC1OC[C@H]([C@H]2OC[C@@H](O)C2O)O1
InChIInChI=1S/C8H14O5/c1-4-11-3-6(13-4)8-7(10)5(9)2-12-8/h4-10H,2-3H2,1H3/t4?,5-,6-,7?,8-/m1/s1
InChIKeyYXCKQODAKDAJNH-DJSSTOROSA-N
XLogP-1.13
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol 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

(4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 91271052
2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
CID 171620816
(4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 54419182
(2R,4aS,6S,7R,8S,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 124811135
(4aR,6S,7R,8S,8aS)-6-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 102240590
(2S,3R)-2-(2-undecyl-1,3-dioxolan-4-yl)oxolane-3,4-diol
CID 140821232
(1R,2R,4R,6R,9R,10R,12R,14R,17R,18R,20R,22R,25R,26R,28R,30R,33R,34R,36R,38R,41R,42R,44R,46R,49R,50R,52R,54R,57R,58R,59R,60R,61R,62R,63R)-3,5,8,11,13,16,19,21,24,27,29,32,35,37,40,43,45,48,51,53,56-henicosaoxapentadecacyclo[50.4.1.14,9.112,17.120,25.128,33.136,41.144,49.02,54.06,10.014,18.022,26.030,34.038,42.046,50]trihexacontane-57,58,59,60,61,62,63-heptol
CID 11366658
(4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
CID 56632590
(1R,4S,5R,8S)-2,6-dioxabicyclo[3.2.1]octane-4,8-diol
CID 11040833
(6R,8R,8aS)-6-ethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 176586129
8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol
CID 552297
(2R,4R,5S)-2-methyloxane-3,4,5-triol
CID 89321348

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol?
The IUPAC name of (2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol (CID 129085380) is (2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol.
What is the SMILES notation for (2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol?
The canonical SMILES for (2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol is CC1OC[C@H]([C@H]2OC[C@@H](O)C2O)O1.
What is the InChIKey of (2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol?
The InChIKey is YXCKQODAKDAJNH-DJSSTOROSA-N. The full InChI is InChI=1S/C8H14O5/c1-4-11-3-6(13-4)8-7(10)5(9)2-12-8/h4-10H,2-3H2,1H3/t4?,5-,6-,7?,8-/m1/s1.
What are the key properties of (2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol?
(2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol has a molecular weight of 190.19 g/mol, XLogP of -1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol is sourced from PubChem (CID 129085380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).