(2S,3R,6S)-3-amino-6-(aminomethyl)-3,6-dihydro-2H-pyran-2-ol

C6H12N2O2 — CID 70670068

IUPAC(2S,3R,6S)-3-amino-6-(aminomethyl)-3,6-dihydro-2H-pyran-2-ol
SMILESNC[C@@H]1C=C[C@@H](N)[C@@H](O)O1
InChIInChI=1S/C6H12N2O2/c7-3-4-1-2-5(8)6(9)10-4/h1-2,4-6,9H,3,7-8H2/t4-,5+,6-/m0/s1
InChIKeySPSIACVJTFUESN-JKUQZMGJSA-N
MW144.17 g/mol
LogP-1.45
Rot. Bonds1

About (2S,3R,6S)-3-amino-6-(aminomethyl)-3,6-dihydro-2H-pyran-2-ol

(2S,3R,6S)-3-amino-6-(aminomethyl)-3,6-dihydro-2H-pyran-2-ol (PubChem CID 70670068) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2S,3R,6S)-3-amino-6-(aminomethyl)-3,6-dihydro-2H-pyran-2-ol.

Molecular Properties

Compound Name(2S,3R,6S)-3-amino-6-(aminomethyl)-3,6-dihydro-2H-pyran-2-ol
PubChem CID70670068
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(2S,3R,6S)-3-amino-6-(aminomethyl)-3,6-dihydro-2H-pyran-2-ol
SMILESNC[C@@H]1C=C[C@@H](N)[C@@H](O)O1
InChIInChI=1S/C6H12N2O2/c7-3-4-1-2-5(8)6(9)10-4/h1-2,4-6,9H,3,7-8H2/t4-,5+,6-/m0/s1
InChIKeySPSIACVJTFUESN-JKUQZMGJSA-N
XLogP-1.45
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-3-amino-6-(aminomethyl)-3,6-dihydro-2H-pyran-2-ol?
The IUPAC name of (2S,3R,6S)-3-amino-6-(aminomethyl)-3,6-dihydro-2H-pyran-2-ol (CID 70670068) is (2S,3R,6S)-3-amino-6-(aminomethyl)-3,6-dihydro-2H-pyran-2-ol.
What is the SMILES notation for (2S,3R,6S)-3-amino-6-(aminomethyl)-3,6-dihydro-2H-pyran-2-ol?
The canonical SMILES for (2S,3R,6S)-3-amino-6-(aminomethyl)-3,6-dihydro-2H-pyran-2-ol is NC[C@@H]1C=C[C@@H](N)[C@@H](O)O1.
What is the InChIKey of (2S,3R,6S)-3-amino-6-(aminomethyl)-3,6-dihydro-2H-pyran-2-ol?
The InChIKey is SPSIACVJTFUESN-JKUQZMGJSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-3-4-1-2-5(8)6(9)10-4/h1-2,4-6,9H,3,7-8H2/t4-,5+,6-/m0/s1.
What are the key properties of (2S,3R,6S)-3-amino-6-(aminomethyl)-3,6-dihydro-2H-pyran-2-ol?
(2S,3R,6S)-3-amino-6-(aminomethyl)-3,6-dihydro-2H-pyran-2-ol has a molecular weight of 144.17 g/mol, XLogP of -1.45, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-3-amino-6-(aminomethyl)-3,6-dihydro-2H-pyran-2-ol is sourced from PubChem (CID 70670068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).