(2R,3R,4S,5R)-2-cyclohexyloxy-5-(2-methylpropylamino)oxane-3,4-diol

C15H29NO4 — CID 54134238

IUPAC(2R,3R,4S,5R)-2-cyclohexyloxy-5-(2-methylpropylamino)oxane-3,4-diol
SMILESCC(C)CN[C@@H]1CO[C@H](OC2CCCCC2)[C@H](O)[C@H]1O
InChIInChI=1S/C15H29NO4/c1-10(2)8-16-12-9-19-15(14(18)13(12)17)20-11-6-4-3-5-7-11/h10-18H,3-9H2,1-2H3/t12-,13+,14-,15-/m1/s1
InChIKeyNWNRDJQGLAHNFN-LXTVHRRPSA-N
MW287.40 g/mol
LogP1.03
Rot. Bonds5

About (2R,3R,4S,5R)-2-cyclohexyloxy-5-(2-methylpropylamino)oxane-3,4-diol

(2R,3R,4S,5R)-2-cyclohexyloxy-5-(2-methylpropylamino)oxane-3,4-diol (PubChem CID 54134238) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-cyclohexyloxy-5-(2-methylpropylamino)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-cyclohexyloxy-5-(2-methylpropylamino)oxane-3,4-diol
PubChem CID54134238
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name(2R,3R,4S,5R)-2-cyclohexyloxy-5-(2-methylpropylamino)oxane-3,4-diol
SMILESCC(C)CN[C@@H]1CO[C@H](OC2CCCCC2)[C@H](O)[C@H]1O
InChIInChI=1S/C15H29NO4/c1-10(2)8-16-12-9-19-15(14(18)13(12)17)20-11-6-4-3-5-7-11/h10-18H,3-9H2,1-2H3/t12-,13+,14-,15-/m1/s1
InChIKeyNWNRDJQGLAHNFN-LXTVHRRPSA-N
XLogP1.03
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-cyclohexyloxy-5-(2-methylpropylamino)oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-cyclohexyloxy-5-(2-methylpropylamino)oxane-3,4-diol (CID 54134238) is (2R,3R,4S,5R)-2-cyclohexyloxy-5-(2-methylpropylamino)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-cyclohexyloxy-5-(2-methylpropylamino)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-cyclohexyloxy-5-(2-methylpropylamino)oxane-3,4-diol is CC(C)CN[C@@H]1CO[C@H](OC2CCCCC2)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-cyclohexyloxy-5-(2-methylpropylamino)oxane-3,4-diol?
The InChIKey is NWNRDJQGLAHNFN-LXTVHRRPSA-N. The full InChI is InChI=1S/C15H29NO4/c1-10(2)8-16-12-9-19-15(14(18)13(12)17)20-11-6-4-3-5-7-11/h10-18H,3-9H2,1-2H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-cyclohexyloxy-5-(2-methylpropylamino)oxane-3,4-diol?
(2R,3R,4S,5R)-2-cyclohexyloxy-5-(2-methylpropylamino)oxane-3,4-diol has a molecular weight of 287.40 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-cyclohexyloxy-5-(2-methylpropylamino)oxane-3,4-diol is sourced from PubChem (CID 54134238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).