(3R,5R)-5-amino-2-[(dimethylamino)methyl]oxane-3,4-diol

C8H18N2O3 — CID 118554665

IUPAC(3R,5R)-5-amino-2-[(dimethylamino)methyl]oxane-3,4-diol
SMILESCN(C)CC1OC[C@@H](N)C(O)[C@H]1O
InChIInChI=1S/C8H18N2O3/c1-10(2)3-6-8(12)7(11)5(9)4-13-6/h5-8,11-12H,3-4,9H2,1-2H3/t5-,6?,7?,8+/m1/s1
InChIKeyJLDHHCAKOGDHLD-CQRKAFIDSA-N
MW190.24 g/mol
LogP-2.00
Rot. Bonds2

About (3R,5R)-5-amino-2-[(dimethylamino)methyl]oxane-3,4-diol

(3R,5R)-5-amino-2-[(dimethylamino)methyl]oxane-3,4-diol (PubChem CID 118554665) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3R,5R)-5-amino-2-[(dimethylamino)methyl]oxane-3,4-diol.

Molecular Properties

Compound Name(3R,5R)-5-amino-2-[(dimethylamino)methyl]oxane-3,4-diol
PubChem CID118554665
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name(3R,5R)-5-amino-2-[(dimethylamino)methyl]oxane-3,4-diol
SMILESCN(C)CC1OC[C@@H](N)C(O)[C@H]1O
InChIInChI=1S/C8H18N2O3/c1-10(2)3-6-8(12)7(11)5(9)4-13-6/h5-8,11-12H,3-4,9H2,1-2H3/t5-,6?,7?,8+/m1/s1
InChIKeyJLDHHCAKOGDHLD-CQRKAFIDSA-N
XLogP-2.00
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-amino-2-[(dimethylamino)methyl]oxane-3,4-diol?
The IUPAC name of (3R,5R)-5-amino-2-[(dimethylamino)methyl]oxane-3,4-diol (CID 118554665) is (3R,5R)-5-amino-2-[(dimethylamino)methyl]oxane-3,4-diol.
What is the SMILES notation for (3R,5R)-5-amino-2-[(dimethylamino)methyl]oxane-3,4-diol?
The canonical SMILES for (3R,5R)-5-amino-2-[(dimethylamino)methyl]oxane-3,4-diol is CN(C)CC1OC[C@@H](N)C(O)[C@H]1O.
What is the InChIKey of (3R,5R)-5-amino-2-[(dimethylamino)methyl]oxane-3,4-diol?
The InChIKey is JLDHHCAKOGDHLD-CQRKAFIDSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-10(2)3-6-8(12)7(11)5(9)4-13-6/h5-8,11-12H,3-4,9H2,1-2H3/t5-,6?,7?,8+/m1/s1.
What are the key properties of (3R,5R)-5-amino-2-[(dimethylamino)methyl]oxane-3,4-diol?
(3R,5R)-5-amino-2-[(dimethylamino)methyl]oxane-3,4-diol has a molecular weight of 190.24 g/mol, XLogP of -2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-amino-2-[(dimethylamino)methyl]oxane-3,4-diol is sourced from PubChem (CID 118554665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).