2-[(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde

C13H22O6 — CID 134922710

IUPAC2-[(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
SMILESCC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@H](CC=O)C2O)O1
InChIInChI=1S/C13H22O6/c1-12(2)16-7-9(18-12)11-10(15)8(5-6-14)17-13(3,4)19-11/h6,8-11,15H,5,7H2,1-4H3/t8-,9-,10?,11-/m1/s1
InChIKeyYAMFZMQPLDRDLY-JHOLWCCGSA-N
MW274.31 g/mol
LogP0.61
Rot. Bonds3

About 2-[(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde

2-[(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde (PubChem CID 134922710) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-[(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
PubChem CID134922710
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name2-[(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
SMILESCC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@H](CC=O)C2O)O1
InChIInChI=1S/C13H22O6/c1-12(2)16-7-9(18-12)11-10(15)8(5-6-14)17-13(3,4)19-11/h6,8-11,15H,5,7H2,1-4H3/t8-,9-,10?,11-/m1/s1
InChIKeyYAMFZMQPLDRDLY-JHOLWCCGSA-N
XLogP0.61
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde with MolForge

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Related Compounds

Rutinose
CID 5460038
4-O-beta-L-Galactopyranosyl-3,6-anhydro-L-galactose
CID 18669501
(2S)-2-hydroxy-2-[(2S,3R,4S)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]acetaldehyde
CID 88399957
4-O-beta-d-galactopyranosyl-3,6-anhydro-d-galactose
CID 101289806
3,5-Dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
CID 163027237
methyl 3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methoxy-tetrahydrofuran-2-yl]propanoate
CID 49773801
3-O-a-L-Fucopyranosyl-D-glucose
CID 53477882
3,4,5,6,7-Pentahydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanal
CID 162852200
2,4,5-Trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
CID 162935755
Qui3Me(b1-4)aldehydo-Dig3Me
CID 163023692
(3S,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
CID 163027238
4,6-O-ethylidene-D-glucose
CID 114511

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde?
The IUPAC name of 2-[(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde (CID 134922710) is 2-[(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde?
The canonical SMILES for 2-[(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde is CC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@H](CC=O)C2O)O1.
What is the InChIKey of 2-[(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde?
The InChIKey is YAMFZMQPLDRDLY-JHOLWCCGSA-N. The full InChI is InChI=1S/C13H22O6/c1-12(2)16-7-9(18-12)11-10(15)8(5-6-14)17-13(3,4)19-11/h6,8-11,15H,5,7H2,1-4H3/t8-,9-,10?,11-/m1/s1.
What are the key properties of 2-[(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde?
2-[(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde has a molecular weight of 274.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde is sourced from PubChem (CID 134922710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).