(2S,3S)-3-azido-5,5-bis(phenylmethoxy)pentane-1,2-diol

C19H23N3O4 — CID 11111085

IUPAC(2S,3S)-3-azido-5,5-bis(phenylmethoxy)pentane-1,2-diol
SMILES[N-]=[N+]=N[C@@H](CC(OCc1ccccc1)OCc1ccccc1)[C@H](O)CO
InChIInChI=1S/C19H23N3O4/c20-22-21-17(18(24)12-23)11-19(25-13-15-7-3-1-4-8-15)26-14-16-9-5-2-6-10-16/h1-10,17-19,23-24H,11-14H2/t17-,18+/m0/s1
InChIKeyLWVXSPLKJPPZBB-ZWKOTPCHSA-N
MW357.41 g/mol
LogP3.17
Rot. Bonds11

About (2S,3S)-3-azido-5,5-bis(phenylmethoxy)pentane-1,2-diol

(2S,3S)-3-azido-5,5-bis(phenylmethoxy)pentane-1,2-diol (PubChem CID 11111085) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S,3S)-3-azido-5,5-bis(phenylmethoxy)pentane-1,2-diol.

Molecular Properties

Compound Name(2S,3S)-3-azido-5,5-bis(phenylmethoxy)pentane-1,2-diol
PubChem CID11111085
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(2S,3S)-3-azido-5,5-bis(phenylmethoxy)pentane-1,2-diol
SMILES[N-]=[N+]=N[C@@H](CC(OCc1ccccc1)OCc1ccccc1)[C@H](O)CO
InChIInChI=1S/C19H23N3O4/c20-22-21-17(18(24)12-23)11-19(25-13-15-7-3-1-4-8-15)26-14-16-9-5-2-6-10-16/h1-10,17-19,23-24H,11-14H2/t17-,18+/m0/s1
InChIKeyLWVXSPLKJPPZBB-ZWKOTPCHSA-N
XLogP3.17
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol
CID 102034824
(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802
(2S)-2-azido-3-phenylmethoxypropan-1-ol
CID 10632133
1,6-diazido-3,4-bis(phenylmethoxy)hexane-2,5-diol
CID 59824366
(2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol
CID 69033542
2-ethoxy-2-phenylmethoxyethanol
CID 57263714
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
(2R,3S)-3-azidobutane-1,2,4-triol
CID 101049712
(3S,4S,5R)-3-azido-5-phenylmethoxynonadecan-4-ol
CID 121337238
1-phenylmethoxyethanol;propane-1,2,3-triol
CID 157415371
3-fluoro-5,5-bis(phenylmethoxy)pentan-1-ol
CID 19925875

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-azido-5,5-bis(phenylmethoxy)pentane-1,2-diol?
The IUPAC name of (2S,3S)-3-azido-5,5-bis(phenylmethoxy)pentane-1,2-diol (CID 11111085) is (2S,3S)-3-azido-5,5-bis(phenylmethoxy)pentane-1,2-diol.
What is the SMILES notation for (2S,3S)-3-azido-5,5-bis(phenylmethoxy)pentane-1,2-diol?
The canonical SMILES for (2S,3S)-3-azido-5,5-bis(phenylmethoxy)pentane-1,2-diol is [N-]=[N+]=N[C@@H](CC(OCc1ccccc1)OCc1ccccc1)[C@H](O)CO.
What is the InChIKey of (2S,3S)-3-azido-5,5-bis(phenylmethoxy)pentane-1,2-diol?
The InChIKey is LWVXSPLKJPPZBB-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H23N3O4/c20-22-21-17(18(24)12-23)11-19(25-13-15-7-3-1-4-8-15)26-14-16-9-5-2-6-10-16/h1-10,17-19,23-24H,11-14H2/t17-,18+/m0/s1.
What are the key properties of (2S,3S)-3-azido-5,5-bis(phenylmethoxy)pentane-1,2-diol?
(2S,3S)-3-azido-5,5-bis(phenylmethoxy)pentane-1,2-diol has a molecular weight of 357.41 g/mol, XLogP of 3.17, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-azido-5,5-bis(phenylmethoxy)pentane-1,2-diol is sourced from PubChem (CID 11111085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).