(3R)-5-azido-3,4-bis(phenylmethoxy)hexane-1,2,6-triol

C20H25N3O5 — CID 134845722

IUPAC(3R)-5-azido-3,4-bis(phenylmethoxy)hexane-1,2,6-triol
SMILES[N-]=[N+]=NC(CO)C(OCc1ccccc1)[C@H](OCc1ccccc1)C(O)CO
InChIInChI=1S/C20H25N3O5/c21-23-22-17(11-24)19(27-13-15-7-3-1-4-8-15)20(18(26)12-25)28-14-16-9-5-2-6-10-16/h1-10,17-20,24-26H,11-14H2/t17?,18?,19?,20-/m1/s1
InChIKeyYRCFJYGZXVMFFB-YSFGRKDWSA-N
MW387.44 g/mol
LogP2.18
Rot. Bonds12

About (3R)-5-azido-3,4-bis(phenylmethoxy)hexane-1,2,6-triol

(3R)-5-azido-3,4-bis(phenylmethoxy)hexane-1,2,6-triol (PubChem CID 134845722) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is (3R)-5-azido-3,4-bis(phenylmethoxy)hexane-1,2,6-triol.

Molecular Properties

Compound Name(3R)-5-azido-3,4-bis(phenylmethoxy)hexane-1,2,6-triol
PubChem CID134845722
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name(3R)-5-azido-3,4-bis(phenylmethoxy)hexane-1,2,6-triol
SMILES[N-]=[N+]=NC(CO)C(OCc1ccccc1)[C@H](OCc1ccccc1)C(O)CO
InChIInChI=1S/C20H25N3O5/c21-23-22-17(11-24)19(27-13-15-7-3-1-4-8-15)20(18(26)12-25)28-14-16-9-5-2-6-10-16/h1-10,17-20,24-26H,11-14H2/t17?,18?,19?,20-/m1/s1
InChIKeyYRCFJYGZXVMFFB-YSFGRKDWSA-N
XLogP2.18
TPSA127.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.18
H-Bond Donors ≤ 53
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-azido-3,4-bis(phenylmethoxy)hexane-1,2,6-triol?
The IUPAC name of (3R)-5-azido-3,4-bis(phenylmethoxy)hexane-1,2,6-triol (CID 134845722) is (3R)-5-azido-3,4-bis(phenylmethoxy)hexane-1,2,6-triol.
What is the SMILES notation for (3R)-5-azido-3,4-bis(phenylmethoxy)hexane-1,2,6-triol?
The canonical SMILES for (3R)-5-azido-3,4-bis(phenylmethoxy)hexane-1,2,6-triol is [N-]=[N+]=NC(CO)C(OCc1ccccc1)[C@H](OCc1ccccc1)C(O)CO.
What is the InChIKey of (3R)-5-azido-3,4-bis(phenylmethoxy)hexane-1,2,6-triol?
The InChIKey is YRCFJYGZXVMFFB-YSFGRKDWSA-N. The full InChI is InChI=1S/C20H25N3O5/c21-23-22-17(11-24)19(27-13-15-7-3-1-4-8-15)20(18(26)12-25)28-14-16-9-5-2-6-10-16/h1-10,17-20,24-26H,11-14H2/t17?,18?,19?,20-/m1/s1.
What are the key properties of (3R)-5-azido-3,4-bis(phenylmethoxy)hexane-1,2,6-triol?
(3R)-5-azido-3,4-bis(phenylmethoxy)hexane-1,2,6-triol has a molecular weight of 387.44 g/mol, XLogP of 2.18, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-azido-3,4-bis(phenylmethoxy)hexane-1,2,6-triol is sourced from PubChem (CID 134845722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).