(4R)-4-benzyl-3-[(2R)-2-[(4R,5S,6S)-6-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-5-methyl-2,2-di(propan-2-yl)-1,3,2-dioxasilinan-4-yl]propanoyl]-1,3-oxazolidin-2-one

C34H49NO7Si — CID 102183050

IUPAC(4R)-4-benzyl-3-[(2R)-2-[(4R,5S,6S)-6-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-5-methyl-2,2-di(propan-2-yl)-1,3,2-dioxasilinan-4-yl]propanoyl]-1,3-oxazolidin-2-one
SMILESCCc1oc([C@@H](C)[C@H]2O[Si](C(C)C)(C(C)C)O[C@@H]([C@@H](C)C(=O)N3C(=O)OC[C@H]3Cc3ccccc3)[C@H]2C)c(C)c(=O)c1C
InChIInChI=1S/C34H49NO7Si/c1-11-28-21(6)29(36)22(7)30(40-28)23(8)31-24(9)32(42-43(41-31,19(2)3)20(4)5)25(10)33(37)35-27(18-39-34(35)38)17-26-15-13-12-14-16-26/h12-16,19-20,23-25,27,31-32H,11,17-18H2,1-10H3/t23-,24+,25-,27-,31-,32-/m1/s1
InChIKeyBDIHHCVXJYLUDH-UGIGMNIWSA-N
MW611.85 g/mol
LogP6.83
Rot. Bonds9

About (4R)-4-benzyl-3-[(2R)-2-[(4R,5S,6S)-6-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-5-methyl-2,2-di(propan-2-yl)-1,3,2-dioxasilinan-4-yl]propanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R)-2-[(4R,5S,6S)-6-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-5-methyl-2,2-di(propan-2-yl)-1,3,2-dioxasilinan-4-yl]propanoyl]-1,3-oxazolidin-2-one (PubChem CID 102183050) has the molecular formula C34H49NO7Si and a molecular weight of 611.85 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R)-2-[(4R,5S,6S)-6-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-5-methyl-2,2-di(propan-2-yl)-1,3,2-dioxasilinan-4-yl]propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R)-2-[(4R,5S,6S)-6-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-5-methyl-2,2-di(propan-2-yl)-1,3,2-dioxasilinan-4-yl]propanoyl]-1,3-oxazolidin-2-one
PubChem CID102183050
Molecular FormulaC34H49NO7Si
Molecular Weight611.85 g/mol
Exact Mass611.33
IUPAC Name(4R)-4-benzyl-3-[(2R)-2-[(4R,5S,6S)-6-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-5-methyl-2,2-di(propan-2-yl)-1,3,2-dioxasilinan-4-yl]propanoyl]-1,3-oxazolidin-2-one
SMILESCCc1oc([C@@H](C)[C@H]2O[Si](C(C)C)(C(C)C)O[C@@H]([C@@H](C)C(=O)N3C(=O)OC[C@H]3Cc3ccccc3)[C@H]2C)c(C)c(=O)c1C
InChIInChI=1S/C34H49NO7Si/c1-11-28-21(6)29(36)22(7)30(40-28)23(8)31-24(9)32(42-43(41-31,19(2)3)20(4)5)25(10)33(37)35-27(18-39-34(35)38)17-26-15-13-12-14-16-26/h12-16,19-20,23-25,27,31-32H,11,17-18H2,1-10H3/t23-,24+,25-,27-,31-,32-/m1/s1
InChIKeyBDIHHCVXJYLUDH-UGIGMNIWSA-N
XLogP6.83
TPSA95.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.85
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[(2R)-2-[(4R,5S,6S)-6-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-5-methyl-2,2-di(propan-2-yl)-1,3,2-dioxasilinan-4-yl]propanoyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R)-2-[(4R,5S,6S)-6-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-5-methyl-2,2-di(propan-2-yl)-1,3,2-dioxasilinan-4-yl]propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R)-2-[(4R,5S,6S)-6-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-5-methyl-2,2-di(propan-2-yl)-1,3,2-dioxasilinan-4-yl]propanoyl]-1,3-oxazolidin-2-one (CID 102183050) is (4R)-4-benzyl-3-[(2R)-2-[(4R,5S,6S)-6-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-5-methyl-2,2-di(propan-2-yl)-1,3,2-dioxasilinan-4-yl]propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R)-2-[(4R,5S,6S)-6-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-5-methyl-2,2-di(propan-2-yl)-1,3,2-dioxasilinan-4-yl]propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R)-2-[(4R,5S,6S)-6-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-5-methyl-2,2-di(propan-2-yl)-1,3,2-dioxasilinan-4-yl]propanoyl]-1,3-oxazolidin-2-one is CCc1oc([C@@H](C)[C@H]2O[Si](C(C)C)(C(C)C)O[C@@H]([C@@H](C)C(=O)N3C(=O)OC[C@H]3Cc3ccccc3)[C@H]2C)c(C)c(=O)c1C.
What is the InChIKey of (4R)-4-benzyl-3-[(2R)-2-[(4R,5S,6S)-6-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-5-methyl-2,2-di(propan-2-yl)-1,3,2-dioxasilinan-4-yl]propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is BDIHHCVXJYLUDH-UGIGMNIWSA-N. The full InChI is InChI=1S/C34H49NO7Si/c1-11-28-21(6)29(36)22(7)30(40-28)23(8)31-24(9)32(42-43(41-31,19(2)3)20(4)5)25(10)33(37)35-27(18-39-34(35)38)17-26-15-13-12-14-16-26/h12-16,19-20,23-25,27,31-32H,11,17-18H2,1-10H3/t23-,24+,25-,27-,31-,32-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R)-2-[(4R,5S,6S)-6-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-5-methyl-2,2-di(propan-2-yl)-1,3,2-dioxasilinan-4-yl]propanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R)-2-[(4R,5S,6S)-6-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-5-methyl-2,2-di(propan-2-yl)-1,3,2-dioxasilinan-4-yl]propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 611.85 g/mol, XLogP of 6.83, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R)-2-[(4R,5S,6S)-6-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)ethyl]-5-methyl-2,2-di(propan-2-yl)-1,3,2-dioxasilinan-4-yl]propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102183050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).