(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(triphenylstannylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

C31H36O6Sn — CID 3081733

IUPAC(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(triphenylstannylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@]2(O)C[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C13H21O6.3C6H5.Sn/c1-11(2)15-6-7(17-11)8-13(5,14)9-10(16-8)19-12(3,4)18-9;3*1-2-4-6-5-3-1;/h7-10,14H,5-6H2,1-4H3;3*1-5H;/t7-,8-,9+,10-,13-;;;;/m1..../s1
InChIKeyAJWTYLBCPBESIW-GGBJYFKRSA-N
MW623.33 g/mol
LogP2.92
Rot. Bonds6

About (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(triphenylstannylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(triphenylstannylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (PubChem CID 3081733) has the molecular formula C31H36O6Sn and a molecular weight of 623.33 g/mol. Its IUPAC name is (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(triphenylstannylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(triphenylstannylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
PubChem CID3081733
Molecular FormulaC31H36O6Sn
Molecular Weight623.33 g/mol
Exact Mass624.15
IUPAC Name(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(triphenylstannylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@]2(O)C[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C13H21O6.3C6H5.Sn/c1-11(2)15-6-7(17-11)8-13(5,14)9-10(16-8)19-12(3,4)18-9;3*1-2-4-6-5-3-1;/h7-10,14H,5-6H2,1-4H3;3*1-5H;/t7-,8-,9+,10-,13-;;;;/m1..../s1
InChIKeyAJWTYLBCPBESIW-GGBJYFKRSA-N
XLogP2.92
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(triphenylstannylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(triphenylstannylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(triphenylstannylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (CID 3081733) is (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(triphenylstannylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(triphenylstannylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(triphenylstannylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@]2(O)C[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(triphenylstannylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The InChIKey is AJWTYLBCPBESIW-GGBJYFKRSA-N. The full InChI is InChI=1S/C13H21O6.3C6H5.Sn/c1-11(2)15-6-7(17-11)8-13(5,14)9-10(16-8)19-12(3,4)18-9;3*1-2-4-6-5-3-1;/h7-10,14H,5-6H2,1-4H3;3*1-5H;/t7-,8-,9+,10-,13-;;;;/m1..../s1.
What are the key properties of (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(triphenylstannylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(triphenylstannylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol has a molecular weight of 623.33 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(triphenylstannylmethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 3081733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).