(3R,4S,5R,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]-trimethylsilyloxymethyl]phenyl]-6-[2-[ethyl(oxo)silyl]ethyl]-5-[[ethyl(oxo)silyl]methyl]-3,4-bis(trimethylsilyloxy)oxan-2-ol

C38H63ClO9Si5 — CID 153487285

IUPAC(3R,4S,5R,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]-trimethylsilyloxymethyl]phenyl]-6-[2-[ethyl(oxo)silyl]ethyl]-5-[[ethyl(oxo)silyl]methyl]-3,4-bis(trimethylsilyloxy)oxan-2-ol
SMILESCC[Si](=O)CC[C@H]1OC(O)(c2ccc(Cl)c(C(O[Si](C)(C)C)c3ccc(OC4CCOC4)cc3)c2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1C[Si](=O)CC
InChIInChI=1S/C38H63ClO9Si5/c1-12-49(41)23-21-34-32(26-50(42)13-2)36(47-52(6,7)8)37(48-53(9,10)11)38(40,45-34)28-16-19-33(39)31(24-28)35(46-51(3,4)5)27-14-17-29(18-15-27)44-30-20-22-43-25-30/h14-19,24,30,32,34-37,40H,12-13,20-23,25-26H2,1-11H3/t30?,32-,34-,35?,36+,37-,38?/m1/s1
InChIKeyDJEIHGYQCZNYOM-YKZYMWDUSA-N
MW839.80 g/mol
LogP9.32
Rot. Bonds18

About (3R,4S,5R,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]-trimethylsilyloxymethyl]phenyl]-6-[2-[ethyl(oxo)silyl]ethyl]-5-[[ethyl(oxo)silyl]methyl]-3,4-bis(trimethylsilyloxy)oxan-2-ol

(3R,4S,5R,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]-trimethylsilyloxymethyl]phenyl]-6-[2-[ethyl(oxo)silyl]ethyl]-5-[[ethyl(oxo)silyl]methyl]-3,4-bis(trimethylsilyloxy)oxan-2-ol (PubChem CID 153487285) has the molecular formula C38H63ClO9Si5 and a molecular weight of 839.80 g/mol. Its IUPAC name is (3R,4S,5R,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]-trimethylsilyloxymethyl]phenyl]-6-[2-[ethyl(oxo)silyl]ethyl]-5-[[ethyl(oxo)silyl]methyl]-3,4-bis(trimethylsilyloxy)oxan-2-ol.

Molecular Properties

Compound Name(3R,4S,5R,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]-trimethylsilyloxymethyl]phenyl]-6-[2-[ethyl(oxo)silyl]ethyl]-5-[[ethyl(oxo)silyl]methyl]-3,4-bis(trimethylsilyloxy)oxan-2-ol
PubChem CID153487285
Molecular FormulaC38H63ClO9Si5
Molecular Weight839.80 g/mol
Exact Mass838.30
IUPAC Name(3R,4S,5R,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]-trimethylsilyloxymethyl]phenyl]-6-[2-[ethyl(oxo)silyl]ethyl]-5-[[ethyl(oxo)silyl]methyl]-3,4-bis(trimethylsilyloxy)oxan-2-ol
SMILESCC[Si](=O)CC[C@H]1OC(O)(c2ccc(Cl)c(C(O[Si](C)(C)C)c3ccc(OC4CCOC4)cc3)c2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1C[Si](=O)CC
InChIInChI=1S/C38H63ClO9Si5/c1-12-49(41)23-21-34-32(26-50(42)13-2)36(47-52(6,7)8)37(48-53(9,10)11)38(40,45-34)28-16-19-33(39)31(24-28)35(46-51(3,4)5)27-14-17-29(18-15-27)44-30-20-22-43-25-30/h14-19,24,30,32,34-37,40H,12-13,20-23,25-26H2,1-11H3/t30?,32-,34-,35?,36+,37-,38?/m1/s1
InChIKeyDJEIHGYQCZNYOM-YKZYMWDUSA-N
XLogP9.32
TPSA109.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.80
LogP ≤ 59.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (3R,4S,5R,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]-trimethylsilyloxymethyl]phenyl]-6-[2-[ethyl(oxo)silyl]ethyl]-5-[[ethyl(oxo)silyl]methyl]-3,4-bis(trimethylsilyloxy)oxan-2-ol with MolForge

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Related Compounds

(2S,3R,4S,5R,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol
CID 155905990
(2S)-2-[4-chloro-3-[methoxy-[4-(oxolan-3-yloxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 171034950
(2S,3R,4S,5R,6S)-2-[4-chloro-3-[(4-ethoxyphenyl)-morpholin-4-ylmethyl]phenyl]-5-methyl-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol
CID 159571318
[2-chloro-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl]phenyl]-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone
CID 130355016
(3R,4S,5S,6R)-2-[3-[[4-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]phenyl]methyl]-4-chlorophenyl]-6-ethyl-4,5-dimethyl-3-trimethylsilyloxyoxan-2-ol
CID 157281223
(2S,3R,4S,5R,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-ol
CID 131736378
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216
(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol
CID 46892293
(1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol
CID 46892294
(3S)-3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane
CID 118457980
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-chloro-3-[[4-(oxan-4-yloxy)phenyl]methyl]phenyl]-6-hydroxyoxan-2-yl]methyl acetate
CID 67131587
3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane;ethane
CID 176995671

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]-trimethylsilyloxymethyl]phenyl]-6-[2-[ethyl(oxo)silyl]ethyl]-5-[[ethyl(oxo)silyl]methyl]-3,4-bis(trimethylsilyloxy)oxan-2-ol?
The IUPAC name of (3R,4S,5R,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]-trimethylsilyloxymethyl]phenyl]-6-[2-[ethyl(oxo)silyl]ethyl]-5-[[ethyl(oxo)silyl]methyl]-3,4-bis(trimethylsilyloxy)oxan-2-ol (CID 153487285) is (3R,4S,5R,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]-trimethylsilyloxymethyl]phenyl]-6-[2-[ethyl(oxo)silyl]ethyl]-5-[[ethyl(oxo)silyl]methyl]-3,4-bis(trimethylsilyloxy)oxan-2-ol.
What is the SMILES notation for (3R,4S,5R,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]-trimethylsilyloxymethyl]phenyl]-6-[2-[ethyl(oxo)silyl]ethyl]-5-[[ethyl(oxo)silyl]methyl]-3,4-bis(trimethylsilyloxy)oxan-2-ol?
The canonical SMILES for (3R,4S,5R,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]-trimethylsilyloxymethyl]phenyl]-6-[2-[ethyl(oxo)silyl]ethyl]-5-[[ethyl(oxo)silyl]methyl]-3,4-bis(trimethylsilyloxy)oxan-2-ol is CC[Si](=O)CC[C@H]1OC(O)(c2ccc(Cl)c(C(O[Si](C)(C)C)c3ccc(OC4CCOC4)cc3)c2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1C[Si](=O)CC.
What is the InChIKey of (3R,4S,5R,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]-trimethylsilyloxymethyl]phenyl]-6-[2-[ethyl(oxo)silyl]ethyl]-5-[[ethyl(oxo)silyl]methyl]-3,4-bis(trimethylsilyloxy)oxan-2-ol?
The InChIKey is DJEIHGYQCZNYOM-YKZYMWDUSA-N. The full InChI is InChI=1S/C38H63ClO9Si5/c1-12-49(41)23-21-34-32(26-50(42)13-2)36(47-52(6,7)8)37(48-53(9,10)11)38(40,45-34)28-16-19-33(39)31(24-28)35(46-51(3,4)5)27-14-17-29(18-15-27)44-30-20-22-43-25-30/h14-19,24,30,32,34-37,40H,12-13,20-23,25-26H2,1-11H3/t30?,32-,34-,35?,36+,37-,38?/m1/s1.
What are the key properties of (3R,4S,5R,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]-trimethylsilyloxymethyl]phenyl]-6-[2-[ethyl(oxo)silyl]ethyl]-5-[[ethyl(oxo)silyl]methyl]-3,4-bis(trimethylsilyloxy)oxan-2-ol?
(3R,4S,5R,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]-trimethylsilyloxymethyl]phenyl]-6-[2-[ethyl(oxo)silyl]ethyl]-5-[[ethyl(oxo)silyl]methyl]-3,4-bis(trimethylsilyloxy)oxan-2-ol has a molecular weight of 839.80 g/mol, XLogP of 9.32, 18 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]-trimethylsilyloxymethyl]phenyl]-6-[2-[ethyl(oxo)silyl]ethyl]-5-[[ethyl(oxo)silyl]methyl]-3,4-bis(trimethylsilyloxy)oxan-2-ol is sourced from PubChem (CID 153487285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).