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

C15H21NO5 — CID 44585217

IUPAC(2R,3S,4S,5R)-2-[[[(1R,2S)-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+/m0/s1
InChIKeyZAXLUVPCBVBLFB-CMBQYIQPSA-N
MW295.33 g/mol
LogP-1.28
Rot. Bonds4

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

(2R,3S,4S,5R)-2-[[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 44585217) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-[[[(1R,2S)-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-[[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID44585217
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name(2R,3S,4S,5R)-2-[[[(1R,2S)-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+/m0/s1
InChIKeyZAXLUVPCBVBLFB-CMBQYIQPSA-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-[[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

1-(2-hydroxypropylamino)-2,3-dihydro-1H-inden-2-ol
CID 244373
(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
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-((1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl)-tetrahydrofuran-3,4-diol
CID 44585219
(2R,3S,4S,5R)-2-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585224
(2R,3S,4S,5R)-2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585241
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(3-hydroxy-1-phenylpropyl)amino]methyl]oxolane-3,4-diol
CID 44585242
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol
CID 44585243
(2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585254
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(2-methylphenyl)methylamino]methyl]oxolane-3,4-diol
CID 44585381
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]oxolane-3,4-diol
CID 44585426
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]oxolane-3,4-diol
CID 44585429
(2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585430

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-[[[(1R,2S)-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-[[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 44585217) is (2R,3S,4S,5R)-2-[[[(1R,2S)-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-[[[(1R,2S)-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-[[[(1R,2S)-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-[[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is ZAXLUVPCBVBLFB-CMBQYIQPSA-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+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-2-[[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3S,4S,5R)-2-[[[(1R,2S)-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-[[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 44585217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).