[(3aR,5R,6S,6aR)-6-methoxy-5-[(1S)-1-methoxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;methanesulfonyl chloride

C13H25ClO8S — CID 91316294

IUPAC[(3aR,5R,6S,6aR)-6-methoxy-5-[(1S)-1-methoxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;methanesulfonyl chloride
SMILESCO[C@@H](C)[C@@]1(CO)O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OC.CS(=O)(=O)Cl
InChIInChI=1S/C12H22O6.CH3ClO2S/c1-7(14-4)12(6-13)9(15-5)8-10(18-12)17-11(2,3)16-8;1-5(2,3)4/h7-10,13H,6H2,1-5H3;1H3/t7-,8+,9-,10-,12+;/m0./s1
InChIKeyVIWQIISWQBDTOP-ZOIMMDPZSA-N
MW376.86 g/mol
LogP0.46
Rot. Bonds4

About [(3aR,5R,6S,6aR)-6-methoxy-5-[(1S)-1-methoxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;methanesulfonyl chloride

[(3aR,5R,6S,6aR)-6-methoxy-5-[(1S)-1-methoxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;methanesulfonyl chloride (PubChem CID 91316294) has the molecular formula C13H25ClO8S and a molecular weight of 376.86 g/mol. Its IUPAC name is [(3aR,5R,6S,6aR)-6-methoxy-5-[(1S)-1-methoxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;methanesulfonyl chloride.

Molecular Properties

Compound Name[(3aR,5R,6S,6aR)-6-methoxy-5-[(1S)-1-methoxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;methanesulfonyl chloride
PubChem CID91316294
Molecular FormulaC13H25ClO8S
Molecular Weight376.86 g/mol
Exact Mass376.10
IUPAC Name[(3aR,5R,6S,6aR)-6-methoxy-5-[(1S)-1-methoxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;methanesulfonyl chloride
SMILESCO[C@@H](C)[C@@]1(CO)O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OC.CS(=O)(=O)Cl
InChIInChI=1S/C12H22O6.CH3ClO2S/c1-7(14-4)12(6-13)9(15-5)8-10(18-12)17-11(2,3)16-8;1-5(2,3)4/h7-10,13H,6H2,1-5H3;1H3/t7-,8+,9-,10-,12+;/m0./s1
InChIKeyVIWQIISWQBDTOP-ZOIMMDPZSA-N
XLogP0.46
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(3aR,5R,6S,6aR)-6-methoxy-5-[(1S)-1-methoxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;methanesulfonyl chloride with MolForge

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Related Compounds

[(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate
CID 59169501
(3aR,5R,6S,6aR)-5-(fluoromethyl)-6-methoxy-5-(methoxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 170150469
[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 70790141
[(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 59968638
(1S)-1-[(3aS,5S)-2,2-dimethyl-6-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol
CID 174093486
(3aR,6S,6aR)-5,5-diethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;[(3aR,6S,6aR)-5-(hydroxymethyl)-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 162245066
[(3aR,5R,6aS)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 158868399
[5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 173065798
[(3aS,6aS)-5-(hydroxymethyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 140862742
[5-(hydroxymethyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 22177544
[(3aR,5R,6S,6aR)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methanesulfonate
CID 24903503
[(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate
CID 102325485

Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,6S,6aR)-6-methoxy-5-[(1S)-1-methoxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;methanesulfonyl chloride?
The IUPAC name of [(3aR,5R,6S,6aR)-6-methoxy-5-[(1S)-1-methoxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;methanesulfonyl chloride (CID 91316294) is [(3aR,5R,6S,6aR)-6-methoxy-5-[(1S)-1-methoxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;methanesulfonyl chloride.
What is the SMILES notation for [(3aR,5R,6S,6aR)-6-methoxy-5-[(1S)-1-methoxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;methanesulfonyl chloride?
The canonical SMILES for [(3aR,5R,6S,6aR)-6-methoxy-5-[(1S)-1-methoxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;methanesulfonyl chloride is CO[C@@H](C)[C@@]1(CO)O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OC.CS(=O)(=O)Cl.
What is the InChIKey of [(3aR,5R,6S,6aR)-6-methoxy-5-[(1S)-1-methoxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;methanesulfonyl chloride?
The InChIKey is VIWQIISWQBDTOP-ZOIMMDPZSA-N. The full InChI is InChI=1S/C12H22O6.CH3ClO2S/c1-7(14-4)12(6-13)9(15-5)8-10(18-12)17-11(2,3)16-8;1-5(2,3)4/h7-10,13H,6H2,1-5H3;1H3/t7-,8+,9-,10-,12+;/m0./s1.
What are the key properties of [(3aR,5R,6S,6aR)-6-methoxy-5-[(1S)-1-methoxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;methanesulfonyl chloride?
[(3aR,5R,6S,6aR)-6-methoxy-5-[(1S)-1-methoxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;methanesulfonyl chloride has a molecular weight of 376.86 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5R,6S,6aR)-6-methoxy-5-[(1S)-1-methoxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;methanesulfonyl chloride is sourced from PubChem (CID 91316294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).