[(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate

C6H12NO6P-2 — CID 140621569

IUPAC[(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate
SMILESN[C@@H]1C[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O
InChIInChI=1S/C6H14NO6P/c7-4-1-3(5(8)6(4)9)2-13-14(10,11)12/h3-6,8-9H,1-2,7H2,(H2,10,11,12)/p-2/t3-,4-,5-,6+/m1/s1
InChIKeyYYMXSSYUIIBFOI-KAZBKCHUSA-L
MW225.14 g/mol
LogP-3.10
Rot. Bonds3

About [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate

[(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate (PubChem CID 140621569) has the molecular formula C6H12NO6P-2 and a molecular weight of 225.14 g/mol. Its IUPAC name is [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate.

Molecular Properties

Compound Name[(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate
PubChem CID140621569
Molecular FormulaC6H12NO6P-2
Molecular Weight225.14 g/mol
Exact Mass225.04
IUPAC Name[(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate
SMILESN[C@@H]1C[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O
InChIInChI=1S/C6H14NO6P/c7-4-1-3(5(8)6(4)9)2-13-14(10,11)12/h3-6,8-9H,1-2,7H2,(H2,10,11,12)/p-2/t3-,4-,5-,6+/m1/s1
InChIKeyYYMXSSYUIIBFOI-KAZBKCHUSA-L
XLogP-3.10
TPSA138.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 5-3.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(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
[(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate
CID 130291243
(1R,3R,4R,6R)-4,6-diaminocyclohexane-1,2,3-triol
CID 6102588
cis-(4S,6R)-4,6-diaminocyclohexane-1,2,3-triol
CID 25245099
(1S,3R,4R,6R)-4,6-diaminocyclohexane-1,2,3-triol
CID 98290063
(1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 171920949
(1R,2R,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 18651921
(1R,2S,3R,4R,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 10397334
[(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate
CID 24794356
disodium;[(1R,2R,3S,4R)-2,3-dihydroxy-4-(6-oxo-1H-purin-9-yl)cyclopentyl]methyl phosphate;hydrate
CID 138394062
disodium;[(2S,3R,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 171380674
[(2R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 51351673

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate?
The IUPAC name of [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate (CID 140621569) is [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate.
What is the SMILES notation for [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate?
The canonical SMILES for [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate is N[C@@H]1C[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.
What is the InChIKey of [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate?
The InChIKey is YYMXSSYUIIBFOI-KAZBKCHUSA-L. The full InChI is InChI=1S/C6H14NO6P/c7-4-1-3(5(8)6(4)9)2-13-14(10,11)12/h3-6,8-9H,1-2,7H2,(H2,10,11,12)/p-2/t3-,4-,5-,6+/m1/s1.
What are the key properties of [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate?
[(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate has a molecular weight of 225.14 g/mol, XLogP of -3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentyl]methyl phosphate is sourced from PubChem (CID 140621569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).