(2R,6R)-4-amino-2,4,6-trimethyl-6-tritiooxyoxan-3-ol

C8H17NO3 — CID 91197511

IUPAC(2R,6R)-4-amino-2,4,6-trimethyl-6-tritiooxyoxan-3-ol
SMILES[3H]O[C@@]1(C)CC(C)(N)C(O)[C@@H](C)O1
InChIInChI=1S/C8H17NO3/c1-5-6(10)7(2,9)4-8(3,11)12-5/h5-6,10-11H,4,9H2,1-3H3/t5-,6?,7?,8-/m1/s1/i11T
InChIKeyMQRZWIIOYLJLPM-AYIQMIEESA-N
MW177.24 g/mol
LogP-0.42
Rot. Bonds1

About (2R,6R)-4-amino-2,4,6-trimethyl-6-tritiooxyoxan-3-ol

(2R,6R)-4-amino-2,4,6-trimethyl-6-tritiooxyoxan-3-ol (PubChem CID 91197511) has the molecular formula C8H17NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is (2R,6R)-4-amino-2,4,6-trimethyl-6-tritiooxyoxan-3-ol.

Molecular Properties

Compound Name(2R,6R)-4-amino-2,4,6-trimethyl-6-tritiooxyoxan-3-ol
PubChem CID91197511
Molecular FormulaC8H17NO3
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name(2R,6R)-4-amino-2,4,6-trimethyl-6-tritiooxyoxan-3-ol
SMILES[3H]O[C@@]1(C)CC(C)(N)C(O)[C@@H](C)O1
InChIInChI=1S/C8H17NO3/c1-5-6(10)7(2,9)4-8(3,11)12-5/h5-6,10-11H,4,9H2,1-3H3/t5-,6?,7?,8-/m1/s1/i11T
InChIKeyMQRZWIIOYLJLPM-AYIQMIEESA-N
XLogP-0.42
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-amino-2,4,6-trimethyl-6-tritiooxyoxan-3-ol?
The IUPAC name of (2R,6R)-4-amino-2,4,6-trimethyl-6-tritiooxyoxan-3-ol (CID 91197511) is (2R,6R)-4-amino-2,4,6-trimethyl-6-tritiooxyoxan-3-ol.
What is the SMILES notation for (2R,6R)-4-amino-2,4,6-trimethyl-6-tritiooxyoxan-3-ol?
The canonical SMILES for (2R,6R)-4-amino-2,4,6-trimethyl-6-tritiooxyoxan-3-ol is [3H]O[C@@]1(C)CC(C)(N)C(O)[C@@H](C)O1.
What is the InChIKey of (2R,6R)-4-amino-2,4,6-trimethyl-6-tritiooxyoxan-3-ol?
The InChIKey is MQRZWIIOYLJLPM-AYIQMIEESA-N. The full InChI is InChI=1S/C8H17NO3/c1-5-6(10)7(2,9)4-8(3,11)12-5/h5-6,10-11H,4,9H2,1-3H3/t5-,6?,7?,8-/m1/s1/i11T.
What are the key properties of (2R,6R)-4-amino-2,4,6-trimethyl-6-tritiooxyoxan-3-ol?
(2R,6R)-4-amino-2,4,6-trimethyl-6-tritiooxyoxan-3-ol has a molecular weight of 177.24 g/mol, XLogP of -0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-amino-2,4,6-trimethyl-6-tritiooxyoxan-3-ol is sourced from PubChem (CID 91197511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).