(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-3,4-diol

C16H23NO4 — CID 44585219

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-3,4-diol
SMILESOC[C@H]1O[C@H](CNC2CCCc3ccccc32)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H23NO4/c18-9-14-16(20)15(19)13(21-14)8-17-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12-20H,3,5,7-9H2/t12?,13-,14-,15-,16-/m1/s1
InChIKeyZGZAQSBHJCLPPG-PBKGSFDCSA-N
MW293.36 g/mol
LogP0.14
Rot. Bonds4

About (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-3,4-diol

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-3,4-diol (PubChem CID 44585219) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-3,4-diol
PubChem CID44585219
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-3,4-diol
SMILESOC[C@H]1O[C@H](CNC2CCCc3ccccc32)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H23NO4/c18-9-14-16(20)15(19)13(21-14)8-17-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12-20H,3,5,7-9H2/t12?,13-,14-,15-,16-/m1/s1
InChIKeyZGZAQSBHJCLPPG-PBKGSFDCSA-N
XLogP0.14
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-3,4-diol (CID 44585219) is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-3,4-diol is OC[C@H]1O[C@H](CNC2CCCc3ccccc32)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-3,4-diol?
The InChIKey is ZGZAQSBHJCLPPG-PBKGSFDCSA-N. The full InChI is InChI=1S/C16H23NO4/c18-9-14-16(20)15(19)13(21-14)8-17-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12-20H,3,5,7-9H2/t12?,13-,14-,15-,16-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-3,4-diol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-3,4-diol has a molecular weight of 293.36 g/mol, XLogP of 0.14, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-3,4-diol is sourced from PubChem (CID 44585219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).