[(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate;9H-fluoren-9-ylmethyl 2-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl]acetate

C28H37NO14P2-2 — CID 160753341

IUPAC[(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate;9H-fluoren-9-ylmethyl 2-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl]acetate
SMILESN[C@@H]1C[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=C(C[C@@H]1C[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25O8P.C6H14NO6P/c23-20(10-13-9-14(22(25)21(13)24)11-30-31(26,27)28)29-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19;7-4-1-3(5(8)6(4)9)2-13-14(10,11)12/h1-8,13-14,19,21-22,24-25H,9-12H2,(H2,26,27,28);3-6,8-9H,1-2,7H2,(H2,10,11,12)/p-2/t13-,14+,21-,22+;3-,4-,5-,6+/m01/s1
InChIKeyRXCMHMRNUHTXBM-YZAXCEQLSA-L
MW673.55 g/mol
LogP-0.90
Rot. Bonds10

About [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate;9H-fluoren-9-ylmethyl 2-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl]acetate

[(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate;9H-fluoren-9-ylmethyl 2-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl]acetate (PubChem CID 160753341) has the molecular formula C28H37NO14P2-2 and a molecular weight of 673.55 g/mol. Its IUPAC name is [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate;9H-fluoren-9-ylmethyl 2-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl]acetate.

Molecular Properties

Compound Name[(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate;9H-fluoren-9-ylmethyl 2-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl]acetate
PubChem CID160753341
Molecular FormulaC28H37NO14P2-2
Molecular Weight673.55 g/mol
Exact Mass673.17
IUPAC Name[(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate;9H-fluoren-9-ylmethyl 2-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl]acetate
SMILESN[C@@H]1C[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=C(C[C@@H]1C[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25O8P.C6H14NO6P/c23-20(10-13-9-14(22(25)21(13)24)11-30-31(26,27)28)29-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19;7-4-1-3(5(8)6(4)9)2-13-14(10,11)12/h1-8,13-14,19,21-22,24-25H,9-12H2,(H2,26,27,28);3-6,8-9H,1-2,7H2,(H2,10,11,12)/p-2/t13-,14+,21-,22+;3-,4-,5-,6+/m01/s1
InChIKeyRXCMHMRNUHTXBM-YZAXCEQLSA-L
XLogP-0.90
TPSA272.42 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500673.55
LogP ≤ 5-0.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate;9H-fluoren-9-ylmethyl 2-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl]acetate with MolForge

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Related Compounds

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9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
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9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
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9H-fluoren-9-ylmethyl 2-phenylacetate
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9H-fluoren-9-ylmethyl methyl hydrogen phosphate
CID 129027379
7-O-amino 1-O-(9H-fluoren-9-ylmethyl) heptanedioate
CID 175239648
9H-fluoren-9-ylmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
CID 157383915
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phosphonooxypropanoic acid
CID 56845347

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate;9H-fluoren-9-ylmethyl 2-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl]acetate?
The IUPAC name of [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate;9H-fluoren-9-ylmethyl 2-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl]acetate (CID 160753341) is [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate;9H-fluoren-9-ylmethyl 2-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl]acetate.
What is the SMILES notation for [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate;9H-fluoren-9-ylmethyl 2-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl]acetate?
The canonical SMILES for [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate;9H-fluoren-9-ylmethyl 2-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl]acetate is N[C@@H]1C[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=C(C[C@@H]1C[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate;9H-fluoren-9-ylmethyl 2-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl]acetate?
The InChIKey is RXCMHMRNUHTXBM-YZAXCEQLSA-L. The full InChI is InChI=1S/C22H25O8P.C6H14NO6P/c23-20(10-13-9-14(22(25)21(13)24)11-30-31(26,27)28)29-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19;7-4-1-3(5(8)6(4)9)2-13-14(10,11)12/h1-8,13-14,19,21-22,24-25H,9-12H2,(H2,26,27,28);3-6,8-9H,1-2,7H2,(H2,10,11,12)/p-2/t13-,14+,21-,22+;3-,4-,5-,6+/m01/s1.
What are the key properties of [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate;9H-fluoren-9-ylmethyl 2-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl]acetate?
[(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate;9H-fluoren-9-ylmethyl 2-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl]acetate has a molecular weight of 673.55 g/mol, XLogP of -0.90, 10 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate;9H-fluoren-9-ylmethyl 2-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(phosphonooxymethyl)cyclopentyl]acetate is sourced from PubChem (CID 160753341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).