[(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane

C33H73N3O5SSi4 — CID 102279926

IUPAC[(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCS[C@H]1O[C@H]([C@@H](N=[N+]=[N-])[C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H73N3O5SSi4/c1-23(38-43(15,16)30(2,3)4)24(35-36-34)25-26(39-44(17,18)31(5,6)7)27(40-45(19,20)32(8,9)10)28(29(37-25)42-14)41-46(21,22)33(11,12)13/h23-29H,1-22H3/t23-,24+,25-,26+,27+,28-,29-/m1/s1
InChIKeyIRFFTAXNCDAWDO-QXKMVTLXSA-N
MW736.37 g/mol
LogP11.33
Rot. Bonds12

About [(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane

[(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 102279926) has the molecular formula C33H73N3O5SSi4 and a molecular weight of 736.37 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID102279926
Molecular FormulaC33H73N3O5SSi4
Molecular Weight736.37 g/mol
Exact Mass735.43
IUPAC Name[(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCS[C@H]1O[C@H]([C@@H](N=[N+]=[N-])[C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H73N3O5SSi4/c1-23(38-43(15,16)30(2,3)4)24(35-36-34)25-26(39-44(17,18)31(5,6)7)27(40-45(19,20)32(8,9)10)28(29(37-25)42-14)41-46(21,22)33(11,12)13/h23-29H,1-22H3/t23-,24+,25-,26+,27+,28-,29-/m1/s1
InChIKeyIRFFTAXNCDAWDO-QXKMVTLXSA-N
XLogP11.33
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.37
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane (CID 102279926) is [(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane is CS[C@H]1O[C@H]([C@@H](N=[N+]=[N-])[C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is IRFFTAXNCDAWDO-QXKMVTLXSA-N. The full InChI is InChI=1S/C33H73N3O5SSi4/c1-23(38-43(15,16)30(2,3)4)24(35-36-34)25-26(39-44(17,18)31(5,6)7)27(40-45(19,20)32(8,9)10)28(29(37-25)42-14)41-46(21,22)33(11,12)13/h23-29H,1-22H3/t23-,24+,25-,26+,27+,28-,29-/m1/s1.
What are the key properties of [(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 736.37 g/mol, XLogP of 11.33, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102279926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).