(2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol

C35H42O5Si — CID 10984659

IUPAC(2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol
SMILESC[Si](C)(C[C@@H](O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](O)COCc1ccccc1)c1ccccc1
InChIInChI=1S/C35H42O5Si/c1-41(2,31-21-13-6-14-22-31)27-33(37)35(40-25-30-19-11-5-12-20-30)34(39-24-29-17-9-4-10-18-29)32(36)26-38-23-28-15-7-3-8-16-28/h3-22,32-37H,23-27H2,1-2H3/t32-,33+,34-,35-/m0/s1
InChIKeyZIUAMUKWPRMBFG-SNSGHMKVSA-N
MW570.80 g/mol
LogP5.71
Rot. Bonds16

About (2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol

(2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol (PubChem CID 10984659) has the molecular formula C35H42O5Si and a molecular weight of 570.80 g/mol. Its IUPAC name is (2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol.

Molecular Properties

Compound Name(2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol
PubChem CID10984659
Molecular FormulaC35H42O5Si
Molecular Weight570.80 g/mol
Exact Mass570.28
IUPAC Name(2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol
SMILESC[Si](C)(C[C@@H](O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](O)COCc1ccccc1)c1ccccc1
InChIInChI=1S/C35H42O5Si/c1-41(2,31-21-13-6-14-22-31)27-33(37)35(40-25-30-19-11-5-12-20-30)34(39-24-29-17-9-4-10-18-29)32(36)26-38-23-28-15-7-3-8-16-28/h3-22,32-37H,23-27H2,1-2H3/t32-,33+,34-,35-/m0/s1
InChIKeyZIUAMUKWPRMBFG-SNSGHMKVSA-N
XLogP5.71
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.80
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
CID 87261996
(2R,3S,4R)-5,5-bis(benzylsulfanyl)-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 10580114
(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
CID 11827633
(2R,3S,4R,5S)-6-amino-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-ol
CID 101237223
(1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol
CID 134901122
(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol
CID 10690012
(2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
CID 25135652
methyl (E,4S,5R,6R)-4,6-dihydroxy-5,7-bis(phenylmethoxy)hept-2-enoate
CID 11417789
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol?
The IUPAC name of (2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol (CID 10984659) is (2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol.
What is the SMILES notation for (2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol?
The canonical SMILES for (2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol is C[Si](C)(C[C@@H](O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](O)COCc1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol?
The InChIKey is ZIUAMUKWPRMBFG-SNSGHMKVSA-N. The full InChI is InChI=1S/C35H42O5Si/c1-41(2,31-21-13-6-14-22-31)27-33(37)35(40-25-30-19-11-5-12-20-30)34(39-24-29-17-9-4-10-18-29)32(36)26-38-23-28-15-7-3-8-16-28/h3-22,32-37H,23-27H2,1-2H3/t32-,33+,34-,35-/m0/s1.
What are the key properties of (2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol?
(2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol has a molecular weight of 570.80 g/mol, XLogP of 5.71, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol is sourced from PubChem (CID 10984659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).