(2S,3R,4R,5R)-2-methoxy-5-methyl-4-(methylamino)oxane-3,5-diol

C8H17NO4 — CID 14699893

IUPAC(2S,3R,4R,5R)-2-methoxy-5-methyl-4-(methylamino)oxane-3,5-diol
SMILESCN[C@@H]1[C@@H](O)[C@@H](OC)OC[C@]1(C)O
InChIInChI=1S/C8H17NO4/c1-8(11)4-13-7(12-3)5(10)6(8)9-2/h5-7,9-11H,4H2,1-3H3/t5-,6-,7+,8+/m1/s1
InChIKeyWRPVBGDUDWKENC-NGJRWZKOSA-N
MW191.23 g/mol
LogP-1.31
Rot. Bonds2

About (2S,3R,4R,5R)-2-methoxy-5-methyl-4-(methylamino)oxane-3,5-diol

(2S,3R,4R,5R)-2-methoxy-5-methyl-4-(methylamino)oxane-3,5-diol (PubChem CID 14699893) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-methoxy-5-methyl-4-(methylamino)oxane-3,5-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-methoxy-5-methyl-4-(methylamino)oxane-3,5-diol
PubChem CID14699893
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name(2S,3R,4R,5R)-2-methoxy-5-methyl-4-(methylamino)oxane-3,5-diol
SMILESCN[C@@H]1[C@@H](O)[C@@H](OC)OC[C@]1(C)O
InChIInChI=1S/C8H17NO4/c1-8(11)4-13-7(12-3)5(10)6(8)9-2/h5-7,9-11H,4H2,1-3H3/t5-,6-,7+,8+/m1/s1
InChIKeyWRPVBGDUDWKENC-NGJRWZKOSA-N
XLogP-1.31
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-methoxy-5-methyl-4-(methylamino)oxane-3,5-diol?
The IUPAC name of (2S,3R,4R,5R)-2-methoxy-5-methyl-4-(methylamino)oxane-3,5-diol (CID 14699893) is (2S,3R,4R,5R)-2-methoxy-5-methyl-4-(methylamino)oxane-3,5-diol.
What is the SMILES notation for (2S,3R,4R,5R)-2-methoxy-5-methyl-4-(methylamino)oxane-3,5-diol?
The canonical SMILES for (2S,3R,4R,5R)-2-methoxy-5-methyl-4-(methylamino)oxane-3,5-diol is CN[C@@H]1[C@@H](O)[C@@H](OC)OC[C@]1(C)O.
What is the InChIKey of (2S,3R,4R,5R)-2-methoxy-5-methyl-4-(methylamino)oxane-3,5-diol?
The InChIKey is WRPVBGDUDWKENC-NGJRWZKOSA-N. The full InChI is InChI=1S/C8H17NO4/c1-8(11)4-13-7(12-3)5(10)6(8)9-2/h5-7,9-11H,4H2,1-3H3/t5-,6-,7+,8+/m1/s1.
What are the key properties of (2S,3R,4R,5R)-2-methoxy-5-methyl-4-(methylamino)oxane-3,5-diol?
(2S,3R,4R,5R)-2-methoxy-5-methyl-4-(methylamino)oxane-3,5-diol has a molecular weight of 191.23 g/mol, XLogP of -1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-methoxy-5-methyl-4-(methylamino)oxane-3,5-diol is sourced from PubChem (CID 14699893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).