(4R,5R)-4-(hydroxymethyl)diazinane-4,5-diol

C5H12N2O3 — CID 102503272

IUPAC(4R,5R)-4-(hydroxymethyl)diazinane-4,5-diol
SMILESOC[C@]1(O)CNNC[C@H]1O
InChIInChI=1S/C5H12N2O3/c8-3-5(10)2-7-6-1-4(5)9/h4,6-10H,1-3H2/t4-,5-/m1/s1
InChIKeyAASLDLQWWSWRHR-RFZPGFLSSA-N
MW148.16 g/mol
LogP-2.82
Rot. Bonds1

About (4R,5R)-4-(hydroxymethyl)diazinane-4,5-diol

(4R,5R)-4-(hydroxymethyl)diazinane-4,5-diol (PubChem CID 102503272) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is (4R,5R)-4-(hydroxymethyl)diazinane-4,5-diol.

Molecular Properties

Compound Name(4R,5R)-4-(hydroxymethyl)diazinane-4,5-diol
PubChem CID102503272
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name(4R,5R)-4-(hydroxymethyl)diazinane-4,5-diol
SMILESOC[C@]1(O)CNNC[C@H]1O
InChIInChI=1S/C5H12N2O3/c8-3-5(10)2-7-6-1-4(5)9/h4,6-10H,1-3H2/t4-,5-/m1/s1
InChIKeyAASLDLQWWSWRHR-RFZPGFLSSA-N
XLogP-2.82
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-2.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(hydroxymethyl)diazinane-4,5-diol?
The IUPAC name of (4R,5R)-4-(hydroxymethyl)diazinane-4,5-diol (CID 102503272) is (4R,5R)-4-(hydroxymethyl)diazinane-4,5-diol.
What is the SMILES notation for (4R,5R)-4-(hydroxymethyl)diazinane-4,5-diol?
The canonical SMILES for (4R,5R)-4-(hydroxymethyl)diazinane-4,5-diol is OC[C@]1(O)CNNC[C@H]1O.
What is the InChIKey of (4R,5R)-4-(hydroxymethyl)diazinane-4,5-diol?
The InChIKey is AASLDLQWWSWRHR-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H12N2O3/c8-3-5(10)2-7-6-1-4(5)9/h4,6-10H,1-3H2/t4-,5-/m1/s1.
What are the key properties of (4R,5R)-4-(hydroxymethyl)diazinane-4,5-diol?
(4R,5R)-4-(hydroxymethyl)diazinane-4,5-diol has a molecular weight of 148.16 g/mol, XLogP of -2.82, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(hydroxymethyl)diazinane-4,5-diol is sourced from PubChem (CID 102503272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).