(2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride

C6H14ClNO3 — CID 91980014

IUPAC(2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride
SMILESCC1O[C@H](O)CC(N)[C@@H]1O.Cl
InChIInChI=1S/C6H13NO3.ClH/c1-3-6(9)4(7)2-5(8)10-3;/h3-6,8-9H,2,7H2,1H3;1H/t3?,4?,5-,6+;/m0./s1
InChIKeyJLNTUORJIVKDRG-VSXNQDMQSA-N
MW183.63 g/mol
LogP-0.78
Rot. Bonds

About (2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride

(2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride (PubChem CID 91980014) has the molecular formula C6H14ClNO3 and a molecular weight of 183.63 g/mol. Its IUPAC name is (2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride.

Molecular Properties

Compound Name(2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride
PubChem CID91980014
Molecular FormulaC6H14ClNO3
Molecular Weight183.63 g/mol
Exact Mass183.07
IUPAC Name(2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride
SMILESCC1O[C@H](O)CC(N)[C@@H]1O.Cl
InChIInChI=1S/C6H13NO3.ClH/c1-3-6(9)4(7)2-5(8)10-3;/h3-6,8-9H,2,7H2,1H3;1H/t3?,4?,5-,6+;/m0./s1
InChIKeyJLNTUORJIVKDRG-VSXNQDMQSA-N
XLogP-0.78
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride?
The IUPAC name of (2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride (CID 91980014) is (2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride.
What is the SMILES notation for (2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride?
The canonical SMILES for (2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride is CC1O[C@H](O)CC(N)[C@@H]1O.Cl.
What is the InChIKey of (2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride?
The InChIKey is JLNTUORJIVKDRG-VSXNQDMQSA-N. The full InChI is InChI=1S/C6H13NO3.ClH/c1-3-6(9)4(7)2-5(8)10-3;/h3-6,8-9H,2,7H2,1H3;1H/t3?,4?,5-,6+;/m0./s1.
What are the key properties of (2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride?
(2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of -0.78, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-4-amino-6-methyloxane-2,5-diol;hydrochloride is sourced from PubChem (CID 91980014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).