[5-amino-4-azido-3,6-bis(phenylmethoxy)oxan-2-yl]methanol

C20H24N4O4 — CID 20979040

IUPAC[5-amino-4-azido-3,6-bis(phenylmethoxy)oxan-2-yl]methanol
SMILES[N-]=[N+]=NC1C(N)C(OCc2ccccc2)OC(CO)C1OCc1ccccc1
InChIInChI=1S/C20H24N4O4/c21-17-18(23-24-22)19(26-12-14-7-3-1-4-8-14)16(11-25)28-20(17)27-13-15-9-5-2-6-10-15/h1-10,16-20,25H,11-13,21H2
InChIKeyRTWCSZRCSZJIRN-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.51
Rot. Bonds8

About [5-amino-4-azido-3,6-bis(phenylmethoxy)oxan-2-yl]methanol

[5-amino-4-azido-3,6-bis(phenylmethoxy)oxan-2-yl]methanol (PubChem CID 20979040) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is [5-amino-4-azido-3,6-bis(phenylmethoxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-4-azido-3,6-bis(phenylmethoxy)oxan-2-yl]methanol
PubChem CID20979040
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name[5-amino-4-azido-3,6-bis(phenylmethoxy)oxan-2-yl]methanol
SMILES[N-]=[N+]=NC1C(N)C(OCc2ccccc2)OC(CO)C1OCc1ccccc1
InChIInChI=1S/C20H24N4O4/c21-17-18(23-24-22)19(26-12-14-7-3-1-4-8-14)16(11-25)28-20(17)27-13-15-9-5-2-6-10-15/h1-10,16-20,25H,11-13,21H2
InChIKeyRTWCSZRCSZJIRN-UHFFFAOYSA-N
XLogP2.51
TPSA122.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.51
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-amino-4-azido-3,6-bis(phenylmethoxy)oxan-2-yl]methanol?
The IUPAC name of [5-amino-4-azido-3,6-bis(phenylmethoxy)oxan-2-yl]methanol (CID 20979040) is [5-amino-4-azido-3,6-bis(phenylmethoxy)oxan-2-yl]methanol.
What is the SMILES notation for [5-amino-4-azido-3,6-bis(phenylmethoxy)oxan-2-yl]methanol?
The canonical SMILES for [5-amino-4-azido-3,6-bis(phenylmethoxy)oxan-2-yl]methanol is [N-]=[N+]=NC1C(N)C(OCc2ccccc2)OC(CO)C1OCc1ccccc1.
What is the InChIKey of [5-amino-4-azido-3,6-bis(phenylmethoxy)oxan-2-yl]methanol?
The InChIKey is RTWCSZRCSZJIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c21-17-18(23-24-22)19(26-12-14-7-3-1-4-8-14)16(11-25)28-20(17)27-13-15-9-5-2-6-10-15/h1-10,16-20,25H,11-13,21H2.
What are the key properties of [5-amino-4-azido-3,6-bis(phenylmethoxy)oxan-2-yl]methanol?
[5-amino-4-azido-3,6-bis(phenylmethoxy)oxan-2-yl]methanol has a molecular weight of 384.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4-azido-3,6-bis(phenylmethoxy)oxan-2-yl]methanol is sourced from PubChem (CID 20979040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).