(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol

C23H32N4O3SSi — CID 58400098

IUPAC(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol
SMILESCS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)C1N
InChIInChI=1S/C23H32N4O3SSi/c1-23(2,3)32(16-11-7-5-8-12-16,17-13-9-6-10-14-17)29-15-18-20(26-27-25)21(28)19(24)22(30-18)31-4/h5-14,18-22,28H,15,24H2,1-4H3/t18?,19?,20-,21+,22-/m0/s1
InChIKeyMOXFFNFXYYMIKD-ZHMMRPBMSA-N
MW472.69 g/mol
LogP3.02
Rot. Bonds7

About (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol

(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol (PubChem CID 58400098) has the molecular formula C23H32N4O3SSi and a molecular weight of 472.69 g/mol. Its IUPAC name is (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol.

Molecular Properties

Compound Name(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol
PubChem CID58400098
Molecular FormulaC23H32N4O3SSi
Molecular Weight472.69 g/mol
Exact Mass472.20
IUPAC Name(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol
SMILESCS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)C1N
InChIInChI=1S/C23H32N4O3SSi/c1-23(2,3)32(16-11-7-5-8-12-16,17-13-9-6-10-14-17)29-15-18-20(26-27-25)21(28)19(24)22(30-18)31-4/h5-14,18-22,28H,15,24H2,1-4H3/t18?,19?,20-,21+,22-/m0/s1
InChIKeyMOXFFNFXYYMIKD-ZHMMRPBMSA-N
XLogP3.02
TPSA113.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.69
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol
CID 58400077
(3R,4R,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-3-ol
CID 58678941
(3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol
CID 58678948
(3R,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxane-3,4-diol
CID 58678972
(3R,4R,5R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6-methylsulfanyloxan-3-ol
CID 60038004
CID 60038013
CID 60038013
CID 60038019
CID 60038019
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol
CID 60047861
(2S)-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylsulfanyloxan-4-ol
CID 71088237
(3S,4R,5S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxane-3,4-diol
CID 71200618
(3S,5R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol
CID 89513283
(3S,6S)-5-azido-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-6-methylsulfanyloxane-3,4-diol
CID 89529811

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol?
The IUPAC name of (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol (CID 58400098) is (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol.
What is the SMILES notation for (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol?
The canonical SMILES for (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol is CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)C1N.
What is the InChIKey of (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol?
The InChIKey is MOXFFNFXYYMIKD-ZHMMRPBMSA-N. The full InChI is InChI=1S/C23H32N4O3SSi/c1-23(2,3)32(16-11-7-5-8-12-16,17-13-9-6-10-14-17)29-15-18-20(26-27-25)21(28)19(24)22(30-18)31-4/h5-14,18-22,28H,15,24H2,1-4H3/t18?,19?,20-,21+,22-/m0/s1.
What are the key properties of (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol?
(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol has a molecular weight of 472.69 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol is sourced from PubChem (CID 58400098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).