(2R,3S,5R)-5-(2-aminoethylamino)-2-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)-6-(2-phenylethoxy)oxan-3-ol

C28H36N2O5 — CID 52944904

IUPAC(2R,3S,5R)-5-(2-aminoethylamino)-2-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)-6-(2-phenylethoxy)oxan-3-ol
SMILESCOC[C@H]1OC(OCCc2ccccc2)[C@H](NCCN)C(OCc2ccc3ccccc3c2)[C@@H]1O
InChIInChI=1S/C28H36N2O5/c1-32-19-24-26(31)27(34-18-21-11-12-22-9-5-6-10-23(22)17-21)25(30-15-14-29)28(35-24)33-16-13-20-7-3-2-4-8-20/h2-12,17,24-28,30-31H,13-16,18-19,29H2,1H3/t24-,25-,26-,27?,28?/m1/s1
InChIKeyUGHKLNGSGPLSMU-MGDIVGHDSA-N
MW480.61 g/mol
LogP2.63
Rot. Bonds12

About (2R,3S,5R)-5-(2-aminoethylamino)-2-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)-6-(2-phenylethoxy)oxan-3-ol

(2R,3S,5R)-5-(2-aminoethylamino)-2-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)-6-(2-phenylethoxy)oxan-3-ol (PubChem CID 52944904) has the molecular formula C28H36N2O5 and a molecular weight of 480.61 g/mol. Its IUPAC name is (2R,3S,5R)-5-(2-aminoethylamino)-2-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)-6-(2-phenylethoxy)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(2-aminoethylamino)-2-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)-6-(2-phenylethoxy)oxan-3-ol
PubChem CID52944904
Molecular FormulaC28H36N2O5
Molecular Weight480.61 g/mol
Exact Mass480.26
IUPAC Name(2R,3S,5R)-5-(2-aminoethylamino)-2-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)-6-(2-phenylethoxy)oxan-3-ol
SMILESCOC[C@H]1OC(OCCc2ccccc2)[C@H](NCCN)C(OCc2ccc3ccccc3c2)[C@@H]1O
InChIInChI=1S/C28H36N2O5/c1-32-19-24-26(31)27(34-18-21-11-12-22-9-5-6-10-23(22)17-21)25(30-15-14-29)28(35-24)33-16-13-20-7-3-2-4-8-20/h2-12,17,24-28,30-31H,13-16,18-19,29H2,1H3/t24-,25-,26-,27?,28?/m1/s1
InChIKeyUGHKLNGSGPLSMU-MGDIVGHDSA-N
XLogP2.63
TPSA95.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(2-aminoethylamino)-2-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)-6-(2-phenylethoxy)oxan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(2-aminoethylamino)-2-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)-6-(2-phenylethoxy)oxan-3-ol (CID 52944904) is (2R,3S,5R)-5-(2-aminoethylamino)-2-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)-6-(2-phenylethoxy)oxan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(2-aminoethylamino)-2-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)-6-(2-phenylethoxy)oxan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(2-aminoethylamino)-2-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)-6-(2-phenylethoxy)oxan-3-ol is COC[C@H]1OC(OCCc2ccccc2)[C@H](NCCN)C(OCc2ccc3ccccc3c2)[C@@H]1O.
What is the InChIKey of (2R,3S,5R)-5-(2-aminoethylamino)-2-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)-6-(2-phenylethoxy)oxan-3-ol?
The InChIKey is UGHKLNGSGPLSMU-MGDIVGHDSA-N. The full InChI is InChI=1S/C28H36N2O5/c1-32-19-24-26(31)27(34-18-21-11-12-22-9-5-6-10-23(22)17-21)25(30-15-14-29)28(35-24)33-16-13-20-7-3-2-4-8-20/h2-12,17,24-28,30-31H,13-16,18-19,29H2,1H3/t24-,25-,26-,27?,28?/m1/s1.
What are the key properties of (2R,3S,5R)-5-(2-aminoethylamino)-2-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)-6-(2-phenylethoxy)oxan-3-ol?
(2R,3S,5R)-5-(2-aminoethylamino)-2-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)-6-(2-phenylethoxy)oxan-3-ol has a molecular weight of 480.61 g/mol, XLogP of 2.63, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(2-aminoethylamino)-2-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)-6-(2-phenylethoxy)oxan-3-ol is sourced from PubChem (CID 52944904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).