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

C16H24O6S — CID 11244860

IUPAC(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[(R)-hydroxy(thiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@@H]([C@H](O)[C@H]2COC(C)(C)O2)[C@@H]([C@@H](O)c2cccs2)O1
InChIInChI=1S/C16H24O6S/c1-15(2)19-8-9(20-15)11(17)13-14(22-16(3,4)21-13)12(18)10-6-5-7-23-10/h5-7,9,11-14,17-18H,8H2,1-4H3/t9-,11-,12+,13+,14-/m1/s1
InChIKeyRISCRAMLCUILDQ-QKGWFMCXSA-N
MW344.43 g/mol
LogP1.81
Rot. Bonds4

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

(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[(R)-hydroxy(thiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 11244860) has the molecular formula C16H24O6S and a molecular weight of 344.43 g/mol. Its IUPAC name is (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[(R)-hydroxy(thiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[(R)-hydroxy(thiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID11244860
Molecular FormulaC16H24O6S
Molecular Weight344.43 g/mol
Exact Mass344.13
IUPAC Name(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[(R)-hydroxy(thiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@@H]([C@H](O)[C@H]2COC(C)(C)O2)[C@@H]([C@@H](O)c2cccs2)O1
InChIInChI=1S/C16H24O6S/c1-15(2)19-8-9(20-15)11(17)13-14(22-16(3,4)21-13)12(18)10-6-5-7-23-10/h5-7,9,11-14,17-18H,8H2,1-4H3/t9-,11-,12+,13+,14-/m1/s1
InChIKeyRISCRAMLCUILDQ-QKGWFMCXSA-N
XLogP1.81
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[hydroxy(thiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 102244812
[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol
CID 68902963
(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-[(4S,5R)-5-[(R)-1,3-dithian-2-yl(hydroxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 134937196
bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 4047032
(4S,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11118793
(3aR,6S,6aR)-6-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 11162083
(1R)-1-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 102402641
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
[(4R,5S)-5-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 88611660
(1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 102376072
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylbut-3-en-1-ol
CID 101024514
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]benzamide
CID 122388100

Frequently Asked Questions

What is the IUPAC name of (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[(R)-hydroxy(thiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[(R)-hydroxy(thiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 11244860) is (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[(R)-hydroxy(thiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[(R)-hydroxy(thiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[(R)-hydroxy(thiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)O[C@@H]([C@H](O)[C@H]2COC(C)(C)O2)[C@@H]([C@@H](O)c2cccs2)O1.
What is the InChIKey of (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[(R)-hydroxy(thiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is RISCRAMLCUILDQ-QKGWFMCXSA-N. The full InChI is InChI=1S/C16H24O6S/c1-15(2)19-8-9(20-15)11(17)13-14(22-16(3,4)21-13)12(18)10-6-5-7-23-10/h5-7,9,11-14,17-18H,8H2,1-4H3/t9-,11-,12+,13+,14-/m1/s1.
What are the key properties of (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[(R)-hydroxy(thiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[(R)-hydroxy(thiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 344.43 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[(R)-hydroxy(thiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 11244860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).