(3S,5S,6S)-5-azido-6-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-2-(hydroxymethyl)oxane-3,4-diol

C22H29N3O5Si — CID 89467995

IUPAC(3S,5S,6S)-5-azido-6-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCC(C)(C[C@@H]1OC(CO)[C@@H](O)C(O)[C@@H]1N=[N+]=[N-])[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29N3O5Si/c1-22(2,13-17-19(24-25-23)21(28)20(27)18(14-26)30-17)31(29,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-21,26-29H,13-14H2,1-2H3/t17-,18?,19+,20+,21?/m0/s1
InChIKeyXDTADBWIDHDBJZ-VPRPLRRXSA-N
MW443.58 g/mol
LogP1.07
Rot. Bonds7

About (3S,5S,6S)-5-azido-6-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-2-(hydroxymethyl)oxane-3,4-diol

(3S,5S,6S)-5-azido-6-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 89467995) has the molecular formula C22H29N3O5Si and a molecular weight of 443.58 g/mol. Its IUPAC name is (3S,5S,6S)-5-azido-6-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(3S,5S,6S)-5-azido-6-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID89467995
Molecular FormulaC22H29N3O5Si
Molecular Weight443.58 g/mol
Exact Mass443.19
IUPAC Name(3S,5S,6S)-5-azido-6-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCC(C)(C[C@@H]1OC(CO)[C@@H](O)C(O)[C@@H]1N=[N+]=[N-])[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29N3O5Si/c1-22(2,13-17-19(24-25-23)21(28)20(27)18(14-26)30-17)31(29,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-21,26-29H,13-14H2,1-2H3/t17-,18?,19+,20+,21?/m0/s1
InChIKeyXDTADBWIDHDBJZ-VPRPLRRXSA-N
XLogP1.07
TPSA138.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.58
LogP ≤ 51.07
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of (3S,5S,6S)-5-azido-6-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (3S,5S,6S)-5-azido-6-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-2-(hydroxymethyl)oxane-3,4-diol (CID 89467995) is (3S,5S,6S)-5-azido-6-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (3S,5S,6S)-5-azido-6-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (3S,5S,6S)-5-azido-6-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-2-(hydroxymethyl)oxane-3,4-diol is CC(C)(C[C@@H]1OC(CO)[C@@H](O)C(O)[C@@H]1N=[N+]=[N-])[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,5S,6S)-5-azido-6-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is XDTADBWIDHDBJZ-VPRPLRRXSA-N. The full InChI is InChI=1S/C22H29N3O5Si/c1-22(2,13-17-19(24-25-23)21(28)20(27)18(14-26)30-17)31(29,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-21,26-29H,13-14H2,1-2H3/t17-,18?,19+,20+,21?/m0/s1.
What are the key properties of (3S,5S,6S)-5-azido-6-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-2-(hydroxymethyl)oxane-3,4-diol?
(3S,5S,6S)-5-azido-6-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 443.58 g/mol, XLogP of 1.07, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S,6S)-5-azido-6-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 89467995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).