(1R,3R,6S,7R,9S,11R,13S,19S,20R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-20-tri(propan-2-yl)silyloxy-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-4,15-dien-6-ol

C32H58O7Si2 — CID 102573214

IUPAC(1R,3R,6S,7R,9S,11R,13S,19S,20R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-20-tri(propan-2-yl)silyloxy-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-4,15-dien-6-ol
SMILESCC(C)[Si](O[C@@H]1[C@H]2OCC=CC[C@@H]2O[C@@H]2C[C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)C=C[C@H]3O[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C32H58O7Si2/c1-20(2)41(21(3)4,22(5)6)39-31-29-25(14-12-13-17-34-29)36-27-18-26-24(38-30(27)31)16-15-23(33)28(37-26)19-35-40(10,11)32(7,8)9/h12-13,15-16,20-31,33H,14,17-19H2,1-11H3/t23-,24+,25-,26-,27+,28+,29-,30+,31+/m0/s1
InChIKeyVZDUDXDLQWNRLE-FPNHKJDSSA-N
MW610.98 g/mol
LogP6.52
Rot. Bonds8

About (1R,3R,6S,7R,9S,11R,13S,19S,20R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-20-tri(propan-2-yl)silyloxy-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-4,15-dien-6-ol

(1R,3R,6S,7R,9S,11R,13S,19S,20R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-20-tri(propan-2-yl)silyloxy-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-4,15-dien-6-ol (PubChem CID 102573214) has the molecular formula C32H58O7Si2 and a molecular weight of 610.98 g/mol. Its IUPAC name is (1R,3R,6S,7R,9S,11R,13S,19S,20R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-20-tri(propan-2-yl)silyloxy-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-4,15-dien-6-ol.

Molecular Properties

Compound Name(1R,3R,6S,7R,9S,11R,13S,19S,20R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-20-tri(propan-2-yl)silyloxy-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-4,15-dien-6-ol
PubChem CID102573214
Molecular FormulaC32H58O7Si2
Molecular Weight610.98 g/mol
Exact Mass610.37
IUPAC Name(1R,3R,6S,7R,9S,11R,13S,19S,20R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-20-tri(propan-2-yl)silyloxy-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-4,15-dien-6-ol
SMILESCC(C)[Si](O[C@@H]1[C@H]2OCC=CC[C@@H]2O[C@@H]2C[C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)C=C[C@H]3O[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C32H58O7Si2/c1-20(2)41(21(3)4,22(5)6)39-31-29-25(14-12-13-17-34-29)36-27-18-26-24(38-30(27)31)16-15-23(33)28(37-26)19-35-40(10,11)32(7,8)9/h12-13,15-16,20-31,33H,14,17-19H2,1-11H3/t23-,24+,25-,26-,27+,28+,29-,30+,31+/m0/s1
InChIKeyVZDUDXDLQWNRLE-FPNHKJDSSA-N
XLogP6.52
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.98
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1R,3R,6S,7R,9S,11R,13S,19S,20R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-20-tri(propan-2-yl)silyloxy-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-4,15-dien-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,3R,6S,7R,9S,11R,13S,19S,20R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-20-tri(propan-2-yl)silyloxy-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-4,15-dien-6-ol?
The IUPAC name of (1R,3R,6S,7R,9S,11R,13S,19S,20R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-20-tri(propan-2-yl)silyloxy-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-4,15-dien-6-ol (CID 102573214) is (1R,3R,6S,7R,9S,11R,13S,19S,20R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-20-tri(propan-2-yl)silyloxy-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-4,15-dien-6-ol.
What is the SMILES notation for (1R,3R,6S,7R,9S,11R,13S,19S,20R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-20-tri(propan-2-yl)silyloxy-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-4,15-dien-6-ol?
The canonical SMILES for (1R,3R,6S,7R,9S,11R,13S,19S,20R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-20-tri(propan-2-yl)silyloxy-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-4,15-dien-6-ol is CC(C)[Si](O[C@@H]1[C@H]2OCC=CC[C@@H]2O[C@@H]2C[C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)C=C[C@H]3O[C@@H]12)(C(C)C)C(C)C.
What is the InChIKey of (1R,3R,6S,7R,9S,11R,13S,19S,20R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-20-tri(propan-2-yl)silyloxy-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-4,15-dien-6-ol?
The InChIKey is VZDUDXDLQWNRLE-FPNHKJDSSA-N. The full InChI is InChI=1S/C32H58O7Si2/c1-20(2)41(21(3)4,22(5)6)39-31-29-25(14-12-13-17-34-29)36-27-18-26-24(38-30(27)31)16-15-23(33)28(37-26)19-35-40(10,11)32(7,8)9/h12-13,15-16,20-31,33H,14,17-19H2,1-11H3/t23-,24+,25-,26-,27+,28+,29-,30+,31+/m0/s1.
What are the key properties of (1R,3R,6S,7R,9S,11R,13S,19S,20R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-20-tri(propan-2-yl)silyloxy-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-4,15-dien-6-ol?
(1R,3R,6S,7R,9S,11R,13S,19S,20R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-20-tri(propan-2-yl)silyloxy-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-4,15-dien-6-ol has a molecular weight of 610.98 g/mol, XLogP of 6.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,6S,7R,9S,11R,13S,19S,20R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-20-tri(propan-2-yl)silyloxy-2,8,12,18-tetraoxatetracyclo[9.9.0.03,9.013,19]icosa-4,15-dien-6-ol is sourced from PubChem (CID 102573214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).