(3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol

C8H17NO2 — CID 89339806

IUPAC(3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol
SMILESCC1O[C@@H](C)CC(C)(N)[C@@H]1O
InChIInChI=1S/C8H17NO2/c1-5-4-8(3,9)7(10)6(2)11-5/h5-7,10H,4,9H2,1-3H3/t5-,6?,7+,8?/m0/s1
InChIKeyNSGNYLSWJZTBIN-AEMDVCDZSA-N
MW159.23 g/mol
LogP0.26
Rot. Bonds

About (3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol

(3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol (PubChem CID 89339806) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol.

Molecular Properties

Compound Name(3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol
PubChem CID89339806
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol
SMILESCC1O[C@@H](C)CC(C)(N)[C@@H]1O
InChIInChI=1S/C8H17NO2/c1-5-4-8(3,9)7(10)6(2)11-5/h5-7,10H,4,9H2,1-3H3/t5-,6?,7+,8?/m0/s1
InChIKeyNSGNYLSWJZTBIN-AEMDVCDZSA-N
XLogP0.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol?
The IUPAC name of (3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol (CID 89339806) is (3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol.
What is the SMILES notation for (3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol?
The canonical SMILES for (3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol is CC1O[C@@H](C)CC(C)(N)[C@@H]1O.
What is the InChIKey of (3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol?
The InChIKey is NSGNYLSWJZTBIN-AEMDVCDZSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-4-8(3,9)7(10)6(2)11-5/h5-7,10H,4,9H2,1-3H3/t5-,6?,7+,8?/m0/s1.
What are the key properties of (3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol?
(3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol has a molecular weight of 159.23 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol is sourced from PubChem (CID 89339806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).