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

C20H26N2O4 — CID 20979039

IUPAC[4,5-diamino-3,6-bis(phenylmethoxy)oxan-2-yl]methanol
SMILESNC1C(OCc2ccccc2)OC(CO)C(OCc2ccccc2)C1N
InChIInChI=1S/C20H26N2O4/c21-17-18(22)20(25-13-15-9-5-2-6-10-15)26-16(11-23)19(17)24-12-14-7-3-1-4-8-14/h1-10,16-20,23H,11-13,21-22H2
InChIKeyQKCKKXXNIQEYDZ-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.16
Rot. Bonds7

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

[4,5-diamino-3,6-bis(phenylmethoxy)oxan-2-yl]methanol (PubChem CID 20979039) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is [4,5-diamino-3,6-bis(phenylmethoxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[4,5-diamino-3,6-bis(phenylmethoxy)oxan-2-yl]methanol
PubChem CID20979039
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name[4,5-diamino-3,6-bis(phenylmethoxy)oxan-2-yl]methanol
SMILESNC1C(OCc2ccccc2)OC(CO)C(OCc2ccccc2)C1N
InChIInChI=1S/C20H26N2O4/c21-17-18(22)20(25-13-15-9-5-2-6-10-15)26-16(11-23)19(17)24-12-14-7-3-1-4-8-14/h1-10,16-20,23H,11-13,21-22H2
InChIKeyQKCKKXXNIQEYDZ-UHFFFAOYSA-N
XLogP1.16
TPSA99.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4,5-diamino-3,6-bis(phenylmethoxy)oxan-2-yl]methanol?
The IUPAC name of [4,5-diamino-3,6-bis(phenylmethoxy)oxan-2-yl]methanol (CID 20979039) is [4,5-diamino-3,6-bis(phenylmethoxy)oxan-2-yl]methanol.
What is the SMILES notation for [4,5-diamino-3,6-bis(phenylmethoxy)oxan-2-yl]methanol?
The canonical SMILES for [4,5-diamino-3,6-bis(phenylmethoxy)oxan-2-yl]methanol is NC1C(OCc2ccccc2)OC(CO)C(OCc2ccccc2)C1N.
What is the InChIKey of [4,5-diamino-3,6-bis(phenylmethoxy)oxan-2-yl]methanol?
The InChIKey is QKCKKXXNIQEYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c21-17-18(22)20(25-13-15-9-5-2-6-10-15)26-16(11-23)19(17)24-12-14-7-3-1-4-8-14/h1-10,16-20,23H,11-13,21-22H2.
What are the key properties of [4,5-diamino-3,6-bis(phenylmethoxy)oxan-2-yl]methanol?
[4,5-diamino-3,6-bis(phenylmethoxy)oxan-2-yl]methanol has a molecular weight of 358.44 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-diamino-3,6-bis(phenylmethoxy)oxan-2-yl]methanol is sourced from PubChem (CID 20979039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).