(5R)-2,2-diethyl-5-[(R)-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-trimethylsilyloxymethyl]-1,3-dioxolan-4-one

C38H50O9Si — CID 11125275

IUPAC(5R)-2,2-diethyl-5-[(R)-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-trimethylsilyloxymethyl]-1,3-dioxolan-4-one
SMILESCCC1(CC)OC(=O)[C@@H]([C@H](O[Si](C)(C)C)[C@H]2O[C@H](OC)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)O1
InChIInChI=1S/C38H50O9Si/c1-7-38(8-2)45-34(36(39)46-38)33(47-48(4,5)6)32-30(41-24-27-18-12-9-13-19-27)31(42-25-28-20-14-10-15-21-28)35(37(40-3)44-32)43-26-29-22-16-11-17-23-29/h9-23,30-35,37H,7-8,24-26H2,1-6H3/t30-,31-,32-,33+,34+,35+,37-/m0/s1
InChIKeyBLVQVTYZKSTAQW-ZXXIJNQQSA-N
MW678.90 g/mol
LogP6.79
Rot. Bonds16

About (5R)-2,2-diethyl-5-[(R)-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-trimethylsilyloxymethyl]-1,3-dioxolan-4-one

(5R)-2,2-diethyl-5-[(R)-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-trimethylsilyloxymethyl]-1,3-dioxolan-4-one (PubChem CID 11125275) has the molecular formula C38H50O9Si and a molecular weight of 678.90 g/mol. Its IUPAC name is (5R)-2,2-diethyl-5-[(R)-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-trimethylsilyloxymethyl]-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5R)-2,2-diethyl-5-[(R)-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-trimethylsilyloxymethyl]-1,3-dioxolan-4-one
PubChem CID11125275
Molecular FormulaC38H50O9Si
Molecular Weight678.90 g/mol
Exact Mass678.32
IUPAC Name(5R)-2,2-diethyl-5-[(R)-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-trimethylsilyloxymethyl]-1,3-dioxolan-4-one
SMILESCCC1(CC)OC(=O)[C@@H]([C@H](O[Si](C)(C)C)[C@H]2O[C@H](OC)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)O1
InChIInChI=1S/C38H50O9Si/c1-7-38(8-2)45-34(36(39)46-38)33(47-48(4,5)6)32-30(41-24-27-18-12-9-13-19-27)31(42-25-28-20-14-10-15-21-28)35(37(40-3)44-32)43-26-29-22-16-11-17-23-29/h9-23,30-35,37H,7-8,24-26H2,1-6H3/t30-,31-,32-,33+,34+,35+,37-/m0/s1
InChIKeyBLVQVTYZKSTAQW-ZXXIJNQQSA-N
XLogP6.79
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.90
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-2,2-diethyl-5-[(R)-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-trimethylsilyloxymethyl]-1,3-dioxolan-4-one?
The IUPAC name of (5R)-2,2-diethyl-5-[(R)-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-trimethylsilyloxymethyl]-1,3-dioxolan-4-one (CID 11125275) is (5R)-2,2-diethyl-5-[(R)-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-trimethylsilyloxymethyl]-1,3-dioxolan-4-one.
What is the SMILES notation for (5R)-2,2-diethyl-5-[(R)-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-trimethylsilyloxymethyl]-1,3-dioxolan-4-one?
The canonical SMILES for (5R)-2,2-diethyl-5-[(R)-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-trimethylsilyloxymethyl]-1,3-dioxolan-4-one is CCC1(CC)OC(=O)[C@@H]([C@H](O[Si](C)(C)C)[C@H]2O[C@H](OC)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)O1.
What is the InChIKey of (5R)-2,2-diethyl-5-[(R)-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-trimethylsilyloxymethyl]-1,3-dioxolan-4-one?
The InChIKey is BLVQVTYZKSTAQW-ZXXIJNQQSA-N. The full InChI is InChI=1S/C38H50O9Si/c1-7-38(8-2)45-34(36(39)46-38)33(47-48(4,5)6)32-30(41-24-27-18-12-9-13-19-27)31(42-25-28-20-14-10-15-21-28)35(37(40-3)44-32)43-26-29-22-16-11-17-23-29/h9-23,30-35,37H,7-8,24-26H2,1-6H3/t30-,31-,32-,33+,34+,35+,37-/m0/s1.
What are the key properties of (5R)-2,2-diethyl-5-[(R)-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-trimethylsilyloxymethyl]-1,3-dioxolan-4-one?
(5R)-2,2-diethyl-5-[(R)-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-trimethylsilyloxymethyl]-1,3-dioxolan-4-one has a molecular weight of 678.90 g/mol, XLogP of 6.79, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2-diethyl-5-[(R)-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-trimethylsilyloxymethyl]-1,3-dioxolan-4-one is sourced from PubChem (CID 11125275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).