2-[(2S,4R,6S)-6-[(2S)-3-[(2R,3S,6S)-6-[(E,2S)-2-hydroxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-2-methoxypropyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid

C34H64O7Si — CID 134872622

IUPAC2-[(2S,4R,6S)-6-[(2S)-3-[(2R,3S,6S)-6-[(E,2S)-2-hydroxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-2-methoxypropyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid
SMILESCO[C@@H](C[C@H]1C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](CC(=O)O)O1)C[C@H]1O[C@H](C[C@H](O)/C=C/CC(C)C)CC[C@@H]1C
InChIInChI=1S/C34H64O7Si/c1-22(2)12-11-13-27(35)16-28-15-14-26(9)33(40-28)20-29(38-10)17-30-18-32(19-31(39-30)21-34(36)37)41-42(23(3)4,24(5)6)25(7)8/h11,13,22-33,35H,12,14-21H2,1-10H3,(H,36,37)/b13-11+/t26-,27+,28-,29-,30-,31-,32+,33+/m0/s1
InChIKeyJJFJMGGFJVQYPL-FHYGEVDLSA-N
MW612.97 g/mol
LogP7.90
Rot. Bonds17

About 2-[(2S,4R,6S)-6-[(2S)-3-[(2R,3S,6S)-6-[(E,2S)-2-hydroxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-2-methoxypropyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid

2-[(2S,4R,6S)-6-[(2S)-3-[(2R,3S,6S)-6-[(E,2S)-2-hydroxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-2-methoxypropyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid (PubChem CID 134872622) has the molecular formula C34H64O7Si and a molecular weight of 612.97 g/mol. Its IUPAC name is 2-[(2S,4R,6S)-6-[(2S)-3-[(2R,3S,6S)-6-[(E,2S)-2-hydroxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-2-methoxypropyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,4R,6S)-6-[(2S)-3-[(2R,3S,6S)-6-[(E,2S)-2-hydroxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-2-methoxypropyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid
PubChem CID134872622
Molecular FormulaC34H64O7Si
Molecular Weight612.97 g/mol
Exact Mass612.44
IUPAC Name2-[(2S,4R,6S)-6-[(2S)-3-[(2R,3S,6S)-6-[(E,2S)-2-hydroxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-2-methoxypropyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid
SMILESCO[C@@H](C[C@H]1C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](CC(=O)O)O1)C[C@H]1O[C@H](C[C@H](O)/C=C/CC(C)C)CC[C@@H]1C
InChIInChI=1S/C34H64O7Si/c1-22(2)12-11-13-27(35)16-28-15-14-26(9)33(40-28)20-29(38-10)17-30-18-32(19-31(39-30)21-34(36)37)41-42(23(3)4,24(5)6)25(7)8/h11,13,22-33,35H,12,14-21H2,1-10H3,(H,36,37)/b13-11+/t26-,27+,28-,29-,30-,31-,32+,33+/m0/s1
InChIKeyJJFJMGGFJVQYPL-FHYGEVDLSA-N
XLogP7.90
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.97
LogP ≤ 57.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(2S,4R,6S)-6-[(2S)-3-[(2R,3S,6S)-6-[(E,2S)-2-hydroxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-2-methoxypropyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

(3R,4S,5R,6S)-4-hydroxy-3,5-dimethyl-6-[(2S,3Z,5S,6S,7S,8Z,11S,12R,13S,14S,15S,16Z)-2,6,12,14-tetrahydroxy-5,7,9,11,13,15-hexamethylnonadeca-3,8,16,18-tetraenyl]oxan-2-one
CID 10231013
Zincophorin
CID 11757702
Griseochelin
CID 6438636
Griseochelin calcium salt
CID 5478004
2-[5-Methyl-6-(3,5,7,13-tetrahydroxy-4,6,12,14,16-pentamethylnonadeca-10,14-dien-2-yl)oxan-2-yl]propanoic acid
CID 125703
2-[5-Methyl-6-(3,5,7,13-tetrahydroxy-4,6,12,14,16-pentamethylnonadeca-10,14,18-trien-2-yl)oxan-2-yl]propanoic acid
CID 3083021
CP 78545
CID 119081396
24-Dehydrozincophorin
CID 134692104
(3R,4S,5R,6S)-4-hydroxy-3,5-dimethyl-6-[(2S,5S,6S,7S,11S,12R,13S,14S,15S)-2,6,12,14-tetrahydroxy-5,7,9,11,13,15-hexamethylnonadeca-3,8,16,18-tetraenyl]oxan-2-one
CID 162842730
(2R)-2-[(2S,5R,6S)-5-methyl-6-[(2R,3R,4S,5R,6S,7R,10E,12R,13S,14E,16R)-3,5,7,13-tetrahydroxy-4,6,12,14,16-pentamethylnonadeca-10,14,18-trien-2-yl]oxan-2-yl]propanoic acid
CID 162907739
Griseochelin methyl ester
CID 5478065
Zincophorin methyl ester
CID 11273251

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R,6S)-6-[(2S)-3-[(2R,3S,6S)-6-[(E,2S)-2-hydroxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-2-methoxypropyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid?
The IUPAC name of 2-[(2S,4R,6S)-6-[(2S)-3-[(2R,3S,6S)-6-[(E,2S)-2-hydroxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-2-methoxypropyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid (CID 134872622) is 2-[(2S,4R,6S)-6-[(2S)-3-[(2R,3S,6S)-6-[(E,2S)-2-hydroxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-2-methoxypropyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S,4R,6S)-6-[(2S)-3-[(2R,3S,6S)-6-[(E,2S)-2-hydroxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-2-methoxypropyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid?
The canonical SMILES for 2-[(2S,4R,6S)-6-[(2S)-3-[(2R,3S,6S)-6-[(E,2S)-2-hydroxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-2-methoxypropyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid is CO[C@@H](C[C@H]1C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](CC(=O)O)O1)C[C@H]1O[C@H](C[C@H](O)/C=C/CC(C)C)CC[C@@H]1C.
What is the InChIKey of 2-[(2S,4R,6S)-6-[(2S)-3-[(2R,3S,6S)-6-[(E,2S)-2-hydroxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-2-methoxypropyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid?
The InChIKey is JJFJMGGFJVQYPL-FHYGEVDLSA-N. The full InChI is InChI=1S/C34H64O7Si/c1-22(2)12-11-13-27(35)16-28-15-14-26(9)33(40-28)20-29(38-10)17-30-18-32(19-31(39-30)21-34(36)37)41-42(23(3)4,24(5)6)25(7)8/h11,13,22-33,35H,12,14-21H2,1-10H3,(H,36,37)/b13-11+/t26-,27+,28-,29-,30-,31-,32+,33+/m0/s1.
What are the key properties of 2-[(2S,4R,6S)-6-[(2S)-3-[(2R,3S,6S)-6-[(E,2S)-2-hydroxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-2-methoxypropyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid?
2-[(2S,4R,6S)-6-[(2S)-3-[(2R,3S,6S)-6-[(E,2S)-2-hydroxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-2-methoxypropyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid has a molecular weight of 612.97 g/mol, XLogP of 7.90, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R,6S)-6-[(2S)-3-[(2R,3S,6S)-6-[(E,2S)-2-hydroxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-2-methoxypropyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid is sourced from PubChem (CID 134872622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).