(2R,3R)-3-[2-[(2R)-2,3-bis[[tert-butyl(diphenyl)silyl]oxy]propyl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol

C62H72O4S2Si2 — CID 15441858

IUPAC(2R,3R)-3-[2-[(2R)-2,3-bis[[tert-butyl(diphenyl)silyl]oxy]propyl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol
SMILESC[C@H]([C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1)C1(C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)SCCCS1
InChIInChI=1S/C62H72O4S2Si2/c1-49(58(63)48-64-62(50-30-15-8-16-31-50,51-32-17-9-18-33-51)52-34-19-10-20-35-52)61(67-44-29-45-68-61)46-53(66-70(60(5,6)7,56-40-25-13-26-41-56)57-42-27-14-28-43-57)47-65-69(59(2,3)4,54-36-21-11-22-37-54)55-38-23-12-24-39-55/h8-28,30-43,49,53,58,63H,29,44-48H2,1-7H3/t49-,53-,58+/m1/s1
InChIKeyBMUYONVDZQKVRZ-WBCBQVFZSA-N
MW1001.56 g/mol
LogP12.47
Rot. Bonds19

About (2R,3R)-3-[2-[(2R)-2,3-bis[[tert-butyl(diphenyl)silyl]oxy]propyl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol

(2R,3R)-3-[2-[(2R)-2,3-bis[[tert-butyl(diphenyl)silyl]oxy]propyl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol (PubChem CID 15441858) has the molecular formula C62H72O4S2Si2 and a molecular weight of 1001.56 g/mol. Its IUPAC name is (2R,3R)-3-[2-[(2R)-2,3-bis[[tert-butyl(diphenyl)silyl]oxy]propyl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-[2-[(2R)-2,3-bis[[tert-butyl(diphenyl)silyl]oxy]propyl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol
PubChem CID15441858
Molecular FormulaC62H72O4S2Si2
Molecular Weight1001.56 g/mol
Exact Mass1000.44
IUPAC Name(2R,3R)-3-[2-[(2R)-2,3-bis[[tert-butyl(diphenyl)silyl]oxy]propyl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol
SMILESC[C@H]([C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1)C1(C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)SCCCS1
InChIInChI=1S/C62H72O4S2Si2/c1-49(58(63)48-64-62(50-30-15-8-16-31-50,51-32-17-9-18-33-51)52-34-19-10-20-35-52)61(67-44-29-45-68-61)46-53(66-70(60(5,6)7,56-40-25-13-26-41-56)57-42-27-14-28-43-57)47-65-69(59(2,3)4,54-36-21-11-22-37-54)55-38-23-12-24-39-55/h8-28,30-43,49,53,58,63H,29,44-48H2,1-7H3/t49-,53-,58+/m1/s1
InChIKeyBMUYONVDZQKVRZ-WBCBQVFZSA-N
XLogP12.47
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.56
LogP ≤ 512.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol
CID 101038575
(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
CID 142497064
2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol
CID 142497056
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
[2-[tert-butyl(diphenyl)silyl]oxy-1-[2-[(2S,3S,4R)-3-hydroxy-4-methylhex-5-en-2-yl]-1,3-dithian-2-yl]ethyl] acetate
CID 102576973
[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane
CID 176837310
[(2R)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane
CID 154592632
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(1R,2R,3S,4R)-1-(1,3-dithian-2-yl)-5-trityloxypentane-1,2,3,4-tetrol
CID 71658947
(2S,3R,4R)-1-[2-[(E,2R,3S)-7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-3-trimethylsilyloxyhept-4-en-2-yl]-1,3-dithian-2-yl]-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-3-methylheptan-2-ol
CID 122372804
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644
1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol
CID 123510913

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[2-[(2R)-2,3-bis[[tert-butyl(diphenyl)silyl]oxy]propyl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol?
The IUPAC name of (2R,3R)-3-[2-[(2R)-2,3-bis[[tert-butyl(diphenyl)silyl]oxy]propyl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol (CID 15441858) is (2R,3R)-3-[2-[(2R)-2,3-bis[[tert-butyl(diphenyl)silyl]oxy]propyl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol.
What is the SMILES notation for (2R,3R)-3-[2-[(2R)-2,3-bis[[tert-butyl(diphenyl)silyl]oxy]propyl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol?
The canonical SMILES for (2R,3R)-3-[2-[(2R)-2,3-bis[[tert-butyl(diphenyl)silyl]oxy]propyl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol is C[C@H]([C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1)C1(C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)SCCCS1.
What is the InChIKey of (2R,3R)-3-[2-[(2R)-2,3-bis[[tert-butyl(diphenyl)silyl]oxy]propyl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol?
The InChIKey is BMUYONVDZQKVRZ-WBCBQVFZSA-N. The full InChI is InChI=1S/C62H72O4S2Si2/c1-49(58(63)48-64-62(50-30-15-8-16-31-50,51-32-17-9-18-33-51)52-34-19-10-20-35-52)61(67-44-29-45-68-61)46-53(66-70(60(5,6)7,56-40-25-13-26-41-56)57-42-27-14-28-43-57)47-65-69(59(2,3)4,54-36-21-11-22-37-54)55-38-23-12-24-39-55/h8-28,30-43,49,53,58,63H,29,44-48H2,1-7H3/t49-,53-,58+/m1/s1.
What are the key properties of (2R,3R)-3-[2-[(2R)-2,3-bis[[tert-butyl(diphenyl)silyl]oxy]propyl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol?
(2R,3R)-3-[2-[(2R)-2,3-bis[[tert-butyl(diphenyl)silyl]oxy]propyl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol has a molecular weight of 1001.56 g/mol, XLogP of 12.47, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[2-[(2R)-2,3-bis[[tert-butyl(diphenyl)silyl]oxy]propyl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol is sourced from PubChem (CID 15441858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).