(4S,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxan-4-ol

C8H17NO3 — CID 102165180

IUPAC(4S,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxan-4-ol
SMILESCC1(C)C[C@H](O)[C@H](N)[C@@H](CO)O1
InChIInChI=1S/C8H17NO3/c1-8(2)3-5(11)7(9)6(4-10)12-8/h5-7,10-11H,3-4,9H2,1-2H3/t5-,6+,7-/m0/s1
InChIKeyZNRQXCXYZWDSDN-XVMARJQXSA-N
MW175.23 g/mol
LogP-0.77
Rot. Bonds1

About (4S,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxan-4-ol

(4S,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxan-4-ol (PubChem CID 102165180) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (4S,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxan-4-ol.

Molecular Properties

Compound Name(4S,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxan-4-ol
PubChem CID102165180
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(4S,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxan-4-ol
SMILESCC1(C)C[C@H](O)[C@H](N)[C@@H](CO)O1
InChIInChI=1S/C8H17NO3/c1-8(2)3-5(11)7(9)6(4-10)12-8/h5-7,10-11H,3-4,9H2,1-2H3/t5-,6+,7-/m0/s1
InChIKeyZNRQXCXYZWDSDN-XVMARJQXSA-N
XLogP-0.77
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxan-4-ol?
The IUPAC name of (4S,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxan-4-ol (CID 102165180) is (4S,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxan-4-ol.
What is the SMILES notation for (4S,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxan-4-ol?
The canonical SMILES for (4S,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxan-4-ol is CC1(C)C[C@H](O)[C@H](N)[C@@H](CO)O1.
What is the InChIKey of (4S,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxan-4-ol?
The InChIKey is ZNRQXCXYZWDSDN-XVMARJQXSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2)3-5(11)7(9)6(4-10)12-8/h5-7,10-11H,3-4,9H2,1-2H3/t5-,6+,7-/m0/s1.
What are the key properties of (4S,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxan-4-ol?
(4S,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxan-4-ol has a molecular weight of 175.23 g/mol, XLogP of -0.77, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxan-4-ol is sourced from PubChem (CID 102165180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).