(2R,4R,5S)-5-amino-2-methyloxane-3,4-diol

C6H13NO3 — CID 91820713

IUPAC(2R,4R,5S)-5-amino-2-methyloxane-3,4-diol
SMILESC[C@H]1OC[C@H](N)[C@@H](O)C1O
InChIInChI=1S/C6H13NO3/c1-3-5(8)6(9)4(7)2-10-3/h3-6,8-9H,2,7H2,1H3/t3-,4+,5?,6-/m1/s1
InChIKeyXLSCZYCIURNRFH-WGDKFINWSA-N
MW147.17 g/mol
LogP-1.55
Rot. Bonds

About (2R,4R,5S)-5-amino-2-methyloxane-3,4-diol

(2R,4R,5S)-5-amino-2-methyloxane-3,4-diol (PubChem CID 91820713) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2R,4R,5S)-5-amino-2-methyloxane-3,4-diol.

Molecular Properties

Compound Name(2R,4R,5S)-5-amino-2-methyloxane-3,4-diol
PubChem CID91820713
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2R,4R,5S)-5-amino-2-methyloxane-3,4-diol
SMILESC[C@H]1OC[C@H](N)[C@@H](O)C1O
InChIInChI=1S/C6H13NO3/c1-3-5(8)6(9)4(7)2-10-3/h3-6,8-9H,2,7H2,1H3/t3-,4+,5?,6-/m1/s1
InChIKeyXLSCZYCIURNRFH-WGDKFINWSA-N
XLogP-1.55
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-5-amino-2-methyloxane-3,4-diol?
The IUPAC name of (2R,4R,5S)-5-amino-2-methyloxane-3,4-diol (CID 91820713) is (2R,4R,5S)-5-amino-2-methyloxane-3,4-diol.
What is the SMILES notation for (2R,4R,5S)-5-amino-2-methyloxane-3,4-diol?
The canonical SMILES for (2R,4R,5S)-5-amino-2-methyloxane-3,4-diol is C[C@H]1OC[C@H](N)[C@@H](O)C1O.
What is the InChIKey of (2R,4R,5S)-5-amino-2-methyloxane-3,4-diol?
The InChIKey is XLSCZYCIURNRFH-WGDKFINWSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-5(8)6(9)4(7)2-10-3/h3-6,8-9H,2,7H2,1H3/t3-,4+,5?,6-/m1/s1.
What are the key properties of (2R,4R,5S)-5-amino-2-methyloxane-3,4-diol?
(2R,4R,5S)-5-amino-2-methyloxane-3,4-diol has a molecular weight of 147.17 g/mol, XLogP of -1.55, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-5-amino-2-methyloxane-3,4-diol is sourced from PubChem (CID 91820713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).