(3R)-3-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal

C15H26O6 — CID 139092185

IUPAC(3R)-3-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal
SMILESCC1(C)O[C@@H]([C@@H]2COC(C)(C)O2)[C@H]([C@H](O)C(C)(C)C=O)O1
InChIInChI=1S/C15H26O6/c1-13(2,8-16)12(17)11-10(20-15(5,6)21-11)9-7-18-14(3,4)19-9/h8-12,17H,7H2,1-6H3/t9-,10-,11+,12-/m0/s1
InChIKeySLEQOWOELVOUJT-YFKTTZPYSA-N
MW302.37 g/mol
LogP1.24
Rot. Bonds4

About (3R)-3-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal

(3R)-3-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal (PubChem CID 139092185) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is (3R)-3-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal.

Molecular Properties

Compound Name(3R)-3-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal
PubChem CID139092185
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Name(3R)-3-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal
SMILESCC1(C)O[C@@H]([C@@H]2COC(C)(C)O2)[C@H]([C@H](O)C(C)(C)C=O)O1
InChIInChI=1S/C15H26O6/c1-13(2,8-16)12(17)11-10(20-15(5,6)21-11)9-7-18-14(3,4)19-9/h8-12,17H,7H2,1-6H3/t9-,10-,11+,12-/m0/s1
InChIKeySLEQOWOELVOUJT-YFKTTZPYSA-N
XLogP1.24
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R)-3-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal with MolForge

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Related Compounds

Cephalosporolide I
CID 102234230
Cinbotolide D
CID 169492344
methyl 2-[(3aR,4S,6R,6aS)-6-(hydroxymethyl)-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]acetate
CID 10880784
Fructose-1,6-Propionaldehyd
CID 129635401
(3R)-3-[(3aS,4R,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-hydroxypropanal
CID 134856655
2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde
CID 134929863
2-[4-(Hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]acetaldehyde
CID 14731679
Methyl 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5,5-dimethyloxolan-2-yl]propanoate
CID 91600550
1-deuterio-2-[(3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2,3,4-trihydroxyoxolan-2-yl]pentan-1-one
CID 141161997
1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2,3,4-trihydroxyoxolan-2-yl]-2,2-dimethylpropan-1-one
CID 141161998
methyl 2-[(2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-5,5-dimethyloxolan-2-yl]acetate
CID 146259174
2-[(2R,3R,4S,6R)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methyloxan-2-yl]acetaldehyde
CID 168193737

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal?
The IUPAC name of (3R)-3-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal (CID 139092185) is (3R)-3-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal.
What is the SMILES notation for (3R)-3-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal?
The canonical SMILES for (3R)-3-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal is CC1(C)O[C@@H]([C@@H]2COC(C)(C)O2)[C@H]([C@H](O)C(C)(C)C=O)O1.
What is the InChIKey of (3R)-3-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal?
The InChIKey is SLEQOWOELVOUJT-YFKTTZPYSA-N. The full InChI is InChI=1S/C15H26O6/c1-13(2,8-16)12(17)11-10(20-15(5,6)21-11)9-7-18-14(3,4)19-9/h8-12,17H,7H2,1-6H3/t9-,10-,11+,12-/m0/s1.
What are the key properties of (3R)-3-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal?
(3R)-3-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal has a molecular weight of 302.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal is sourced from PubChem (CID 139092185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).