(1R,3R,6S,7R,9S,11R,13S,15S,17R,19S)-7-(hydroxymethyl)-15-(2-phenylmethoxyethyl)-19-tri(propan-2-yl)silyloxy-2,8,12,16-tetraoxatetracyclo[9.8.0.03,9.013,17]nonadecane-1,6-diol

C34H56O9Si — CID 134882610

IUPAC(1R,3R,6S,7R,9S,11R,13S,15S,17R,19S)-7-(hydroxymethyl)-15-(2-phenylmethoxyethyl)-19-tri(propan-2-yl)silyloxy-2,8,12,16-tetraoxatetracyclo[9.8.0.03,9.013,17]nonadecane-1,6-diol
SMILESCC(C)[Si](O[C@H]1C[C@H]2O[C@@H](CCOCc3ccccc3)C[C@@H]2O[C@@H]2C[C@@H]3O[C@H](CO)[C@@H](O)CC[C@H]3O[C@@]12O)(C(C)C)C(C)C
InChIInChI=1S/C34H56O9Si/c1-21(2)44(22(3)4,23(5)6)43-33-18-30-28(16-25(39-30)14-15-38-20-24-10-8-7-9-11-24)41-32-17-29-27(42-34(32,33)37)13-12-26(36)31(19-35)40-29/h7-11,21-23,25-33,35-37H,12-20H2,1-6H3/t25-,26-,27+,28-,29-,30+,31+,32+,33-,34+/m0/s1
InChIKeyDVSFGHZNCQMLEB-ZXNZEZSNSA-N
MW636.90 g/mol
LogP4.85
Rot. Bonds11

About (1R,3R,6S,7R,9S,11R,13S,15S,17R,19S)-7-(hydroxymethyl)-15-(2-phenylmethoxyethyl)-19-tri(propan-2-yl)silyloxy-2,8,12,16-tetraoxatetracyclo[9.8.0.03,9.013,17]nonadecane-1,6-diol

(1R,3R,6S,7R,9S,11R,13S,15S,17R,19S)-7-(hydroxymethyl)-15-(2-phenylmethoxyethyl)-19-tri(propan-2-yl)silyloxy-2,8,12,16-tetraoxatetracyclo[9.8.0.03,9.013,17]nonadecane-1,6-diol (PubChem CID 134882610) has the molecular formula C34H56O9Si and a molecular weight of 636.90 g/mol. Its IUPAC name is (1R,3R,6S,7R,9S,11R,13S,15S,17R,19S)-7-(hydroxymethyl)-15-(2-phenylmethoxyethyl)-19-tri(propan-2-yl)silyloxy-2,8,12,16-tetraoxatetracyclo[9.8.0.03,9.013,17]nonadecane-1,6-diol.

Molecular Properties

Compound Name(1R,3R,6S,7R,9S,11R,13S,15S,17R,19S)-7-(hydroxymethyl)-15-(2-phenylmethoxyethyl)-19-tri(propan-2-yl)silyloxy-2,8,12,16-tetraoxatetracyclo[9.8.0.03,9.013,17]nonadecane-1,6-diol
PubChem CID134882610
Molecular FormulaC34H56O9Si
Molecular Weight636.90 g/mol
Exact Mass636.37
IUPAC Name(1R,3R,6S,7R,9S,11R,13S,15S,17R,19S)-7-(hydroxymethyl)-15-(2-phenylmethoxyethyl)-19-tri(propan-2-yl)silyloxy-2,8,12,16-tetraoxatetracyclo[9.8.0.03,9.013,17]nonadecane-1,6-diol
SMILESCC(C)[Si](O[C@H]1C[C@H]2O[C@@H](CCOCc3ccccc3)C[C@@H]2O[C@@H]2C[C@@H]3O[C@H](CO)[C@@H](O)CC[C@H]3O[C@@]12O)(C(C)C)C(C)C
InChIInChI=1S/C34H56O9Si/c1-21(2)44(22(3)4,23(5)6)43-33-18-30-28(16-25(39-30)14-15-38-20-24-10-8-7-9-11-24)41-32-17-29-27(42-34(32,33)37)13-12-26(36)31(19-35)40-29/h7-11,21-23,25-33,35-37H,12-20H2,1-6H3/t25-,26-,27+,28-,29-,30+,31+,32+,33-,34+/m0/s1
InChIKeyDVSFGHZNCQMLEB-ZXNZEZSNSA-N
XLogP4.85
TPSA116.07 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.90
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (1R,3R,6S,7R,9S,11R,13S,15S,17R,19S)-7-(hydroxymethyl)-15-(2-phenylmethoxyethyl)-19-tri(propan-2-yl)silyloxy-2,8,12,16-tetraoxatetracyclo[9.8.0.03,9.013,17]nonadecane-1,6-diol with MolForge

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Related Compounds

2-[(1R,3S,5R,6S,8R,10S,12R,13S)-12-methyl-13-phenylmethoxy-12-(2-phenylmethoxyethyl)-5-tri(propan-2-yl)silyloxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]ethanol
CID 11193188
(4aR,6S,8R,10aS)-6-(2-phenylmethoxyethyl)-2,3,4,4a,6,7,8,9,10,10a-decahydropyrano[3,2-b]oxocin-8-ol
CID 135033476
(2R,3S,6R,7S)-2-(hydroxymethyl)-6-phenylmethoxy-7-(2-phenylmethoxyethyl)oxepan-3-ol
CID 122207088
[(1S,9S,10R)-9-(2-phenylmethoxyethyl)-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane
CID 139254996
tri(propan-2-yl)-[[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]methoxy]silane
CID 51051295
[(2R,3S,6S,8R,9S)-3,9-dimethyl-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-2-yl]methanol
CID 11371480
3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propane-1,2-diol
CID 10496214
(1R,3S,4S,6R,8R,10S,12R,13S)-1-methyl-4-phenylmethoxy-6-(3-phenylmethoxypropyl)-12-prop-2-enyl-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-13-ol
CID 11006022
(2S,3R,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-methyl-7-(3-phenylmethoxypropyl)oxepan-3-ol
CID 53235768
(1S,3R,5S,7R,12S,14R,17S,19R,21S,23R,25S,27R,28S,30R,32S,34R)-28-phenylmethoxy-27-(phenylmethoxymethyl)-4,8,13,18,22,26,31,35-octaoxaoctacyclo[17.16.0.03,17.05,14.07,12.021,34.023,32.025,30]pentatriacontan-21-ol
CID 71538807
(2R,3S,4aR,6S,8S,8aS)-2-(hydroxymethyl)-2,8a-dimethyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3,4,4a,6,7,8-hexahydropyrano[3,2-b]pyran-3-ol
CID 101218632
(2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol
CID 135024175

Frequently Asked Questions

What is the IUPAC name of (1R,3R,6S,7R,9S,11R,13S,15S,17R,19S)-7-(hydroxymethyl)-15-(2-phenylmethoxyethyl)-19-tri(propan-2-yl)silyloxy-2,8,12,16-tetraoxatetracyclo[9.8.0.03,9.013,17]nonadecane-1,6-diol?
The IUPAC name of (1R,3R,6S,7R,9S,11R,13S,15S,17R,19S)-7-(hydroxymethyl)-15-(2-phenylmethoxyethyl)-19-tri(propan-2-yl)silyloxy-2,8,12,16-tetraoxatetracyclo[9.8.0.03,9.013,17]nonadecane-1,6-diol (CID 134882610) is (1R,3R,6S,7R,9S,11R,13S,15S,17R,19S)-7-(hydroxymethyl)-15-(2-phenylmethoxyethyl)-19-tri(propan-2-yl)silyloxy-2,8,12,16-tetraoxatetracyclo[9.8.0.03,9.013,17]nonadecane-1,6-diol.
What is the SMILES notation for (1R,3R,6S,7R,9S,11R,13S,15S,17R,19S)-7-(hydroxymethyl)-15-(2-phenylmethoxyethyl)-19-tri(propan-2-yl)silyloxy-2,8,12,16-tetraoxatetracyclo[9.8.0.03,9.013,17]nonadecane-1,6-diol?
The canonical SMILES for (1R,3R,6S,7R,9S,11R,13S,15S,17R,19S)-7-(hydroxymethyl)-15-(2-phenylmethoxyethyl)-19-tri(propan-2-yl)silyloxy-2,8,12,16-tetraoxatetracyclo[9.8.0.03,9.013,17]nonadecane-1,6-diol is CC(C)[Si](O[C@H]1C[C@H]2O[C@@H](CCOCc3ccccc3)C[C@@H]2O[C@@H]2C[C@@H]3O[C@H](CO)[C@@H](O)CC[C@H]3O[C@@]12O)(C(C)C)C(C)C.
What is the InChIKey of (1R,3R,6S,7R,9S,11R,13S,15S,17R,19S)-7-(hydroxymethyl)-15-(2-phenylmethoxyethyl)-19-tri(propan-2-yl)silyloxy-2,8,12,16-tetraoxatetracyclo[9.8.0.03,9.013,17]nonadecane-1,6-diol?
The InChIKey is DVSFGHZNCQMLEB-ZXNZEZSNSA-N. The full InChI is InChI=1S/C34H56O9Si/c1-21(2)44(22(3)4,23(5)6)43-33-18-30-28(16-25(39-30)14-15-38-20-24-10-8-7-9-11-24)41-32-17-29-27(42-34(32,33)37)13-12-26(36)31(19-35)40-29/h7-11,21-23,25-33,35-37H,12-20H2,1-6H3/t25-,26-,27+,28-,29-,30+,31+,32+,33-,34+/m0/s1.
What are the key properties of (1R,3R,6S,7R,9S,11R,13S,15S,17R,19S)-7-(hydroxymethyl)-15-(2-phenylmethoxyethyl)-19-tri(propan-2-yl)silyloxy-2,8,12,16-tetraoxatetracyclo[9.8.0.03,9.013,17]nonadecane-1,6-diol?
(1R,3R,6S,7R,9S,11R,13S,15S,17R,19S)-7-(hydroxymethyl)-15-(2-phenylmethoxyethyl)-19-tri(propan-2-yl)silyloxy-2,8,12,16-tetraoxatetracyclo[9.8.0.03,9.013,17]nonadecane-1,6-diol has a molecular weight of 636.90 g/mol, XLogP of 4.85, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,6S,7R,9S,11R,13S,15S,17R,19S)-7-(hydroxymethyl)-15-(2-phenylmethoxyethyl)-19-tri(propan-2-yl)silyloxy-2,8,12,16-tetraoxatetracyclo[9.8.0.03,9.013,17]nonadecane-1,6-diol is sourced from PubChem (CID 134882610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).