(3R,5R)-2,5-dimethyl-4-(methylamino)oxane-3,5-diol

C8H17NO3 — CID 118596301

IUPAC(3R,5R)-2,5-dimethyl-4-(methylamino)oxane-3,5-diol
SMILESCNC1[C@@H](O)C(C)OC[C@]1(C)O
InChIInChI=1S/C8H17NO3/c1-5-6(10)7(9-3)8(2,11)4-12-5/h5-7,9-11H,4H2,1-3H3/t5?,6-,7?,8-/m0/s1
InChIKeyDLRZVVAVDMQPGH-CDGKJWJHSA-N
MW175.23 g/mol
LogP-0.89
Rot. Bonds1

About (3R,5R)-2,5-dimethyl-4-(methylamino)oxane-3,5-diol

(3R,5R)-2,5-dimethyl-4-(methylamino)oxane-3,5-diol (PubChem CID 118596301) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (3R,5R)-2,5-dimethyl-4-(methylamino)oxane-3,5-diol.

Molecular Properties

Compound Name(3R,5R)-2,5-dimethyl-4-(methylamino)oxane-3,5-diol
PubChem CID118596301
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(3R,5R)-2,5-dimethyl-4-(methylamino)oxane-3,5-diol
SMILESCNC1[C@@H](O)C(C)OC[C@]1(C)O
InChIInChI=1S/C8H17NO3/c1-5-6(10)7(9-3)8(2,11)4-12-5/h5-7,9-11H,4H2,1-3H3/t5?,6-,7?,8-/m0/s1
InChIKeyDLRZVVAVDMQPGH-CDGKJWJHSA-N
XLogP-0.89
TPSA61.72 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 ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2,5-dimethyl-4-(methylamino)oxane-3,5-diol?
The IUPAC name of (3R,5R)-2,5-dimethyl-4-(methylamino)oxane-3,5-diol (CID 118596301) is (3R,5R)-2,5-dimethyl-4-(methylamino)oxane-3,5-diol.
What is the SMILES notation for (3R,5R)-2,5-dimethyl-4-(methylamino)oxane-3,5-diol?
The canonical SMILES for (3R,5R)-2,5-dimethyl-4-(methylamino)oxane-3,5-diol is CNC1[C@@H](O)C(C)OC[C@]1(C)O.
What is the InChIKey of (3R,5R)-2,5-dimethyl-4-(methylamino)oxane-3,5-diol?
The InChIKey is DLRZVVAVDMQPGH-CDGKJWJHSA-N. The full InChI is InChI=1S/C8H17NO3/c1-5-6(10)7(9-3)8(2,11)4-12-5/h5-7,9-11H,4H2,1-3H3/t5?,6-,7?,8-/m0/s1.
What are the key properties of (3R,5R)-2,5-dimethyl-4-(methylamino)oxane-3,5-diol?
(3R,5R)-2,5-dimethyl-4-(methylamino)oxane-3,5-diol has a molecular weight of 175.23 g/mol, XLogP of -0.89, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2,5-dimethyl-4-(methylamino)oxane-3,5-diol is sourced from PubChem (CID 118596301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).