(2S,4S)-4-amino-6-methyl-2-tritiooxyoxan-3-ol

C6H13NO3 — CID 91265952

IUPAC(2S,4S)-4-amino-6-methyl-2-tritiooxyoxan-3-ol
SMILES[3H]O[C@H]1OC(C)C[C@H](N)C1O
InChIInChI=1S/C6H13NO3/c1-3-2-4(7)5(8)6(9)10-3/h3-6,8-9H,2,7H2,1H3/t3?,4-,5?,6-/m0/s1/i9T
InChIKeyNRVGACQPZAPJKJ-NZVTZOHCSA-N
MW149.18 g/mol
LogP-1.20
Rot. Bonds1

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

(2S,4S)-4-amino-6-methyl-2-tritiooxyoxan-3-ol (PubChem CID 91265952) has the molecular formula C6H13NO3 and a molecular weight of 149.18 g/mol. Its IUPAC name is (2S,4S)-4-amino-6-methyl-2-tritiooxyoxan-3-ol.

Molecular Properties

Compound Name(2S,4S)-4-amino-6-methyl-2-tritiooxyoxan-3-ol
PubChem CID91265952
Molecular FormulaC6H13NO3
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name(2S,4S)-4-amino-6-methyl-2-tritiooxyoxan-3-ol
SMILES[3H]O[C@H]1OC(C)C[C@H](N)C1O
InChIInChI=1S/C6H13NO3/c1-3-2-4(7)5(8)6(9)10-3/h3-6,8-9H,2,7H2,1H3/t3?,4-,5?,6-/m0/s1/i9T
InChIKeyNRVGACQPZAPJKJ-NZVTZOHCSA-N
XLogP-1.20
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-6-methyl-2-tritiooxyoxan-3-ol?
The IUPAC name of (2S,4S)-4-amino-6-methyl-2-tritiooxyoxan-3-ol (CID 91265952) is (2S,4S)-4-amino-6-methyl-2-tritiooxyoxan-3-ol.
What is the SMILES notation for (2S,4S)-4-amino-6-methyl-2-tritiooxyoxan-3-ol?
The canonical SMILES for (2S,4S)-4-amino-6-methyl-2-tritiooxyoxan-3-ol is [3H]O[C@H]1OC(C)C[C@H](N)C1O.
What is the InChIKey of (2S,4S)-4-amino-6-methyl-2-tritiooxyoxan-3-ol?
The InChIKey is NRVGACQPZAPJKJ-NZVTZOHCSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-2-4(7)5(8)6(9)10-3/h3-6,8-9H,2,7H2,1H3/t3?,4-,5?,6-/m0/s1/i9T.
What are the key properties of (2S,4S)-4-amino-6-methyl-2-tritiooxyoxan-3-ol?
(2S,4S)-4-amino-6-methyl-2-tritiooxyoxan-3-ol has a molecular weight of 149.18 g/mol, XLogP of -1.20, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-6-methyl-2-tritiooxyoxan-3-ol is sourced from PubChem (CID 91265952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).