(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

C22H36O10 — CID 101112584

IUPAC(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)O[C@@H]([C@H]2COC(C)(C)O2)[C@H]([C@H](O)[C@@]2(C=O)OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C22H36O10/c1-18(2)25-9-12(27-18)14-15(30-20(5,6)29-14)16(24)22(11-23)17(31-21(7,8)32-22)13-10-26-19(3,4)28-13/h11-17,24H,9-10H2,1-8H3/t12-,13-,14+,15-,16+,17-,22-/m1/s1
InChIKeyQZTUWPMNLDSTHM-IJJYBSPASA-N
MW460.52 g/mol
LogP1.26
Rot. Bonds5

About (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 101112584) has the molecular formula C22H36O10 and a molecular weight of 460.52 g/mol. Its IUPAC name is (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID101112584
Molecular FormulaC22H36O10
Molecular Weight460.52 g/mol
Exact Mass460.23
IUPAC Name(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)O[C@@H]([C@H]2COC(C)(C)O2)[C@H]([C@H](O)[C@@]2(C=O)OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C22H36O10/c1-18(2)25-9-12(27-18)14-15(30-20(5,6)29-14)16(24)22(11-23)17(31-21(7,8)32-22)13-10-26-19(3,4)28-13/h11-17,24H,9-10H2,1-8H3/t12-,13-,14+,15-,16+,17-,22-/m1/s1
InChIKeyQZTUWPMNLDSTHM-IJJYBSPASA-N
XLogP1.26
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (CID 101112584) is (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is CC1(C)O[C@@H]([C@H]2COC(C)(C)O2)[C@H]([C@H](O)[C@@]2(C=O)OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)O1.
What is the InChIKey of (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is QZTUWPMNLDSTHM-IJJYBSPASA-N. The full InChI is InChI=1S/C22H36O10/c1-18(2)25-9-12(27-18)14-15(30-20(5,6)29-14)16(24)22(11-23)17(31-21(7,8)32-22)13-10-26-19(3,4)28-13/h11-17,24H,9-10H2,1-8H3/t12-,13-,14+,15-,16+,17-,22-/m1/s1.
What are the key properties of (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 460.52 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 101112584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).