(2R,5R)-2-[(1S,2S,3R)-3-[[(3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyloxane-3,5-diol

C18H32N2O7 — CID 155171822

IUPAC(2R,5R)-2-[(1S,2S,3R)-3-[[(3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyloxane-3,5-diol
SMILESC[C@]1(O)CO[C@H](O[C@H]2CCC[C@@H](OC3OC(CN)=CC[C@H]3N)[C@@H]2O)C(O)C1
InChIInChI=1S/C18H32N2O7/c1-18(23)7-12(21)17(24-9-18)27-14-4-2-3-13(15(14)22)26-16-11(20)6-5-10(8-19)25-16/h5,11-17,21-23H,2-4,6-9,19-20H2,1H3/t11-,12?,13-,14+,15+,16?,17-,18-/m1/s1
InChIKeyBFYROIPXYGHAGN-BJFSHOETSA-N
MW388.46 g/mol
LogP-0.92
Rot. Bonds5

About (2R,5R)-2-[(1S,2S,3R)-3-[[(3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyloxane-3,5-diol

(2R,5R)-2-[(1S,2S,3R)-3-[[(3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyloxane-3,5-diol (PubChem CID 155171822) has the molecular formula C18H32N2O7 and a molecular weight of 388.46 g/mol. Its IUPAC name is (2R,5R)-2-[(1S,2S,3R)-3-[[(3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyloxane-3,5-diol.

Molecular Properties

Compound Name(2R,5R)-2-[(1S,2S,3R)-3-[[(3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyloxane-3,5-diol
PubChem CID155171822
Molecular FormulaC18H32N2O7
Molecular Weight388.46 g/mol
Exact Mass388.22
IUPAC Name(2R,5R)-2-[(1S,2S,3R)-3-[[(3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyloxane-3,5-diol
SMILESC[C@]1(O)CO[C@H](O[C@H]2CCC[C@@H](OC3OC(CN)=CC[C@H]3N)[C@@H]2O)C(O)C1
InChIInChI=1S/C18H32N2O7/c1-18(23)7-12(21)17(24-9-18)27-14-4-2-3-13(15(14)22)26-16-11(20)6-5-10(8-19)25-16/h5,11-17,21-23H,2-4,6-9,19-20H2,1H3/t11-,12?,13-,14+,15+,16?,17-,18-/m1/s1
InChIKeyBFYROIPXYGHAGN-BJFSHOETSA-N
XLogP-0.92
TPSA149.65 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 5-0.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (2R,5R)-2-[(1S,2S,3R)-3-[[(3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyloxane-3,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-[(1S,2S,3R)-3-[[(3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyloxane-3,5-diol?
The IUPAC name of (2R,5R)-2-[(1S,2S,3R)-3-[[(3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyloxane-3,5-diol (CID 155171822) is (2R,5R)-2-[(1S,2S,3R)-3-[[(3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyloxane-3,5-diol.
What is the SMILES notation for (2R,5R)-2-[(1S,2S,3R)-3-[[(3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyloxane-3,5-diol?
The canonical SMILES for (2R,5R)-2-[(1S,2S,3R)-3-[[(3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyloxane-3,5-diol is C[C@]1(O)CO[C@H](O[C@H]2CCC[C@@H](OC3OC(CN)=CC[C@H]3N)[C@@H]2O)C(O)C1.
What is the InChIKey of (2R,5R)-2-[(1S,2S,3R)-3-[[(3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyloxane-3,5-diol?
The InChIKey is BFYROIPXYGHAGN-BJFSHOETSA-N. The full InChI is InChI=1S/C18H32N2O7/c1-18(23)7-12(21)17(24-9-18)27-14-4-2-3-13(15(14)22)26-16-11(20)6-5-10(8-19)25-16/h5,11-17,21-23H,2-4,6-9,19-20H2,1H3/t11-,12?,13-,14+,15+,16?,17-,18-/m1/s1.
What are the key properties of (2R,5R)-2-[(1S,2S,3R)-3-[[(3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyloxane-3,5-diol?
(2R,5R)-2-[(1S,2S,3R)-3-[[(3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyloxane-3,5-diol has a molecular weight of 388.46 g/mol, XLogP of -0.92, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-[(1S,2S,3R)-3-[[(3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyloxane-3,5-diol is sourced from PubChem (CID 155171822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).