(4R)-4-[(4R,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,2-dioxathiolane 2-oxide

C10H18O7S — CID 10850464

IUPAC(4R)-4-[(4R,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,2-dioxathiolane 2-oxide
SMILESCOC(OC)[C@@H]1OC(C)(C)O[C@H]1[C@H]1COS(=O)O1
InChIInChI=1S/C10H18O7S/c1-10(2)15-7(6-5-14-18(11)17-6)8(16-10)9(12-3)13-4/h6-9H,5H2,1-4H3/t6-,7+,8-,18?/m1/s1
InChIKeyKZLDQFXWCXNJFO-GMTWFCKWSA-N
MW282.31 g/mol
LogP0.12
Rot. Bonds4

About (4R)-4-[(4R,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,2-dioxathiolane 2-oxide

(4R)-4-[(4R,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,2-dioxathiolane 2-oxide (PubChem CID 10850464) has the molecular formula C10H18O7S and a molecular weight of 282.31 g/mol. Its IUPAC name is (4R)-4-[(4R,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,2-dioxathiolane 2-oxide.

Molecular Properties

Compound Name(4R)-4-[(4R,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,2-dioxathiolane 2-oxide
PubChem CID10850464
Molecular FormulaC10H18O7S
Molecular Weight282.31 g/mol
Exact Mass282.08
IUPAC Name(4R)-4-[(4R,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,2-dioxathiolane 2-oxide
SMILESCOC(OC)[C@@H]1OC(C)(C)O[C@H]1[C@H]1COS(=O)O1
InChIInChI=1S/C10H18O7S/c1-10(2)15-7(6-5-14-18(11)17-6)8(16-10)9(12-3)13-4/h6-9H,5H2,1-4H3/t6-,7+,8-,18?/m1/s1
InChIKeyKZLDQFXWCXNJFO-GMTWFCKWSA-N
XLogP0.12
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 134986662
[(3S,4R)-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-4-methylsulfonyloxybutyl] methanesulfonate
CID 10951276
2-[(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N-[2-[(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethyl]ethanamine
CID 100983372
methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetate
CID 11223436
(1R,2S,6R,7R,9R)-7-methoxy-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 14077905
(1R)-1-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 166449238
1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol
CID 73334090
(1R)-1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethanol
CID 12039524
[(3aS,4R,6S,7R,7aR)-6-[(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl propanoate
CID 67495133
sodium (4S)-4-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-oxobutanoate
CID 44511294
(4S,5S)-4-[(1R)-4-bromo-1-(methoxymethoxy)but-3-ynyl]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane
CID 101206021
(2S)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 132516469

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(4R,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,2-dioxathiolane 2-oxide?
The IUPAC name of (4R)-4-[(4R,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,2-dioxathiolane 2-oxide (CID 10850464) is (4R)-4-[(4R,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,2-dioxathiolane 2-oxide.
What is the SMILES notation for (4R)-4-[(4R,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,2-dioxathiolane 2-oxide?
The canonical SMILES for (4R)-4-[(4R,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,2-dioxathiolane 2-oxide is COC(OC)[C@@H]1OC(C)(C)O[C@H]1[C@H]1COS(=O)O1.
What is the InChIKey of (4R)-4-[(4R,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,2-dioxathiolane 2-oxide?
The InChIKey is KZLDQFXWCXNJFO-GMTWFCKWSA-N. The full InChI is InChI=1S/C10H18O7S/c1-10(2)15-7(6-5-14-18(11)17-6)8(16-10)9(12-3)13-4/h6-9H,5H2,1-4H3/t6-,7+,8-,18?/m1/s1.
What are the key properties of (4R)-4-[(4R,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,2-dioxathiolane 2-oxide?
(4R)-4-[(4R,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,2-dioxathiolane 2-oxide has a molecular weight of 282.31 g/mol, XLogP of 0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(4R,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,2-dioxathiolane 2-oxide is sourced from PubChem (CID 10850464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).