(2R,3S,4S,5R)-2-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol

C15H21NO5 — CID 44585218

IUPAC(2R,3S,4S,5R)-2-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@H](CN[C@H]2c3ccccc3C[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H21NO5/c17-7-12-15(20)14(19)11(21-12)6-16-13-9-4-2-1-3-8(9)5-10(13)18/h1-4,10-20H,5-7H2/t10-,11-,12-,13+,14-,15-/m1/s1
InChIKeyZAXLUVPCBVBLFB-PLJUSGQGSA-N
MW295.33 g/mol
LogP-1.28
Rot. Bonds4

About (2R,3S,4S,5R)-2-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3S,4S,5R)-2-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 44585218) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID44585218
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name(2R,3S,4S,5R)-2-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@H](CN[C@H]2c3ccccc3C[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H21NO5/c17-7-12-15(20)14(19)11(21-12)6-16-13-9-4-2-1-3-8(9)5-10(13)18/h1-4,10-20H,5-7H2/t10-,11-,12-,13+,14-,15-/m1/s1
InChIKeyZAXLUVPCBVBLFB-PLJUSGQGSA-N
XLogP-1.28
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 5-1.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R)-2-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 44585218) is (2R,3S,4S,5R)-2-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1O[C@H](CN[C@H]2c3ccccc3C[C@H]2O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is ZAXLUVPCBVBLFB-PLJUSGQGSA-N. The full InChI is InChI=1S/C15H21NO5/c17-7-12-15(20)14(19)11(21-12)6-16-13-9-4-2-1-3-8(9)5-10(13)18/h1-4,10-20H,5-7H2/t10-,11-,12-,13+,14-,15-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3S,4S,5R)-2-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 295.33 g/mol, XLogP of -1.28, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-[[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 44585218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).