(2S,3S,4S,5R)-5-(benzylamino)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)oxane-3,4-diol

C19H33NO4Si — CID 173116480

IUPAC(2S,3S,4S,5R)-5-(benzylamino)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)oxane-3,4-diol
SMILESC[SiH](C)OC([C@H]1OC[C@@H](NCc2ccccc2)[C@H](O)[C@@H]1O)C(C)(C)C
InChIInChI=1S/C19H33NO4Si/c1-19(2,3)18(24-25(4)5)17-16(22)15(21)14(12-23-17)20-11-13-9-7-6-8-10-13/h6-10,14-18,20-22,25H,11-12H2,1-5H3/t14-,15+,16+,17+,18?/m1/s1
InChIKeyPFLOWAYQRATKEB-CBMYITMBSA-N
MW367.56 g/mol
LogP1.68
Rot. Bonds6

About (2S,3S,4S,5R)-5-(benzylamino)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)oxane-3,4-diol

(2S,3S,4S,5R)-5-(benzylamino)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)oxane-3,4-diol (PubChem CID 173116480) has the molecular formula C19H33NO4Si and a molecular weight of 367.56 g/mol. Its IUPAC name is (2S,3S,4S,5R)-5-(benzylamino)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-5-(benzylamino)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)oxane-3,4-diol
PubChem CID173116480
Molecular FormulaC19H33NO4Si
Molecular Weight367.56 g/mol
Exact Mass367.22
IUPAC Name(2S,3S,4S,5R)-5-(benzylamino)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)oxane-3,4-diol
SMILESC[SiH](C)OC([C@H]1OC[C@@H](NCc2ccccc2)[C@H](O)[C@@H]1O)C(C)(C)C
InChIInChI=1S/C19H33NO4Si/c1-19(2,3)18(24-25(4)5)17-16(22)15(21)14(12-23-17)20-11-13-9-7-6-8-10-13/h6-10,14-18,20-22,25H,11-12H2,1-5H3/t14-,15+,16+,17+,18?/m1/s1
InChIKeyPFLOWAYQRATKEB-CBMYITMBSA-N
XLogP1.68
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-5-(benzylamino)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)oxane-3,4-diol?
The IUPAC name of (2S,3S,4S,5R)-5-(benzylamino)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)oxane-3,4-diol (CID 173116480) is (2S,3S,4S,5R)-5-(benzylamino)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)oxane-3,4-diol.
What is the SMILES notation for (2S,3S,4S,5R)-5-(benzylamino)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)oxane-3,4-diol?
The canonical SMILES for (2S,3S,4S,5R)-5-(benzylamino)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)oxane-3,4-diol is C[SiH](C)OC([C@H]1OC[C@@H](NCc2ccccc2)[C@H](O)[C@@H]1O)C(C)(C)C.
What is the InChIKey of (2S,3S,4S,5R)-5-(benzylamino)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)oxane-3,4-diol?
The InChIKey is PFLOWAYQRATKEB-CBMYITMBSA-N. The full InChI is InChI=1S/C19H33NO4Si/c1-19(2,3)18(24-25(4)5)17-16(22)15(21)14(12-23-17)20-11-13-9-7-6-8-10-13/h6-10,14-18,20-22,25H,11-12H2,1-5H3/t14-,15+,16+,17+,18?/m1/s1.
What are the key properties of (2S,3S,4S,5R)-5-(benzylamino)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)oxane-3,4-diol?
(2S,3S,4S,5R)-5-(benzylamino)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)oxane-3,4-diol has a molecular weight of 367.56 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-5-(benzylamino)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)oxane-3,4-diol is sourced from PubChem (CID 173116480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).