(3S,4S,6R)-4-amino-6-methoxyoxan-3-ol

C6H13NO3 — CID 55289944

IUPAC(3S,4S,6R)-4-amino-6-methoxyoxan-3-ol
SMILESCO[C@H]1C[C@H](N)[C@H](O)CO1
InChIInChI=1S/C6H13NO3/c1-9-6-2-4(7)5(8)3-10-6/h4-6,8H,2-3,7H2,1H3/t4-,5+,6+/m0/s1
InChIKeyDYTZLRBHXUZPOU-KVQBGUIXSA-N
MW147.17 g/mol
LogP-0.93
Rot. Bonds1

About (3S,4S,6R)-4-amino-6-methoxyoxan-3-ol

(3S,4S,6R)-4-amino-6-methoxyoxan-3-ol (PubChem CID 55289944) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (3S,4S,6R)-4-amino-6-methoxyoxan-3-ol.

Molecular Properties

Compound Name(3S,4S,6R)-4-amino-6-methoxyoxan-3-ol
PubChem CID55289944
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(3S,4S,6R)-4-amino-6-methoxyoxan-3-ol
SMILESCO[C@H]1C[C@H](N)[C@H](O)CO1
InChIInChI=1S/C6H13NO3/c1-9-6-2-4(7)5(8)3-10-6/h4-6,8H,2-3,7H2,1H3/t4-,5+,6+/m0/s1
InChIKeyDYTZLRBHXUZPOU-KVQBGUIXSA-N
XLogP-0.93
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,6R)-4-amino-6-methoxyoxan-3-ol?
The IUPAC name of (3S,4S,6R)-4-amino-6-methoxyoxan-3-ol (CID 55289944) is (3S,4S,6R)-4-amino-6-methoxyoxan-3-ol.
What is the SMILES notation for (3S,4S,6R)-4-amino-6-methoxyoxan-3-ol?
The canonical SMILES for (3S,4S,6R)-4-amino-6-methoxyoxan-3-ol is CO[C@H]1C[C@H](N)[C@H](O)CO1.
What is the InChIKey of (3S,4S,6R)-4-amino-6-methoxyoxan-3-ol?
The InChIKey is DYTZLRBHXUZPOU-KVQBGUIXSA-N. The full InChI is InChI=1S/C6H13NO3/c1-9-6-2-4(7)5(8)3-10-6/h4-6,8H,2-3,7H2,1H3/t4-,5+,6+/m0/s1.
What are the key properties of (3S,4S,6R)-4-amino-6-methoxyoxan-3-ol?
(3S,4S,6R)-4-amino-6-methoxyoxan-3-ol has a molecular weight of 147.17 g/mol, XLogP of -0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6R)-4-amino-6-methoxyoxan-3-ol is sourced from PubChem (CID 55289944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).