(1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3R)-3-nitroso-5-phenylpentyl]cyclopentane-1,3-diol

C19H29NO5 — CID 143063591

IUPAC(1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3R)-3-nitroso-5-phenylpentyl]cyclopentane-1,3-diol
SMILESO=N[C@@H](CCc1ccccc1)CC[C@@H]1[C@@H](CC(O)CO)[C@@H](O)C[C@H]1O
InChIInChI=1S/C19H29NO5/c21-12-15(22)10-17-16(18(23)11-19(17)24)9-8-14(20-25)7-6-13-4-2-1-3-5-13/h1-5,14-19,21-24H,6-12H2/t14-,15?,16+,17+,18+,19-/m0/s1
InChIKeyIVDNJRLACPENCJ-YOMVHQSLSA-N
MW351.44 g/mol
LogP1.64
Rot. Bonds10

About (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3R)-3-nitroso-5-phenylpentyl]cyclopentane-1,3-diol

(1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3R)-3-nitroso-5-phenylpentyl]cyclopentane-1,3-diol (PubChem CID 143063591) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3R)-3-nitroso-5-phenylpentyl]cyclopentane-1,3-diol.

Molecular Properties

Compound Name(1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3R)-3-nitroso-5-phenylpentyl]cyclopentane-1,3-diol
PubChem CID143063591
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Name(1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3R)-3-nitroso-5-phenylpentyl]cyclopentane-1,3-diol
SMILESO=N[C@@H](CCc1ccccc1)CC[C@@H]1[C@@H](CC(O)CO)[C@@H](O)C[C@H]1O
InChIInChI=1S/C19H29NO5/c21-12-15(22)10-17-16(18(23)11-19(17)24)9-8-14(20-25)7-6-13-4-2-1-3-5-13/h1-5,14-19,21-24H,6-12H2/t14-,15?,16+,17+,18+,19-/m0/s1
InChIKeyIVDNJRLACPENCJ-YOMVHQSLSA-N
XLogP1.64
TPSA110.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol
CID 143063579
(1S,3R,4R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-propylcyclopentane-1,3-diol
CID 129205006
(1S,3R,4R,5S)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(methoxymethyl)cyclopentane-1,3-diol
CID 166958638
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-N-(1,3-dihydroxypropan-2-yl)heptanamide
CID 59247963
10-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-1-hydroxy-2-(hydroxymethyl)decan-4-one
CID 58090945
4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol
CID 91525648
(1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3S)-3-hydroxyhexyl]cyclopentane-1,3-diol
CID 58700556
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoic acid;dihydrochloride
CID 138503362
[3-hydroxy-2-(hydroxymethyl)propanoyl] (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
CID 90141827
3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol
CID 91429721
7-[(1R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4-phenylbutyl]cyclopentyl]heptanoic acid
CID 70853247
2-[2-[2-[(Z)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoyl]oxyethoxy]ethoxy]ethyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
CID 157026745

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3R)-3-nitroso-5-phenylpentyl]cyclopentane-1,3-diol?
The IUPAC name of (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3R)-3-nitroso-5-phenylpentyl]cyclopentane-1,3-diol (CID 143063591) is (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3R)-3-nitroso-5-phenylpentyl]cyclopentane-1,3-diol.
What is the SMILES notation for (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3R)-3-nitroso-5-phenylpentyl]cyclopentane-1,3-diol?
The canonical SMILES for (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3R)-3-nitroso-5-phenylpentyl]cyclopentane-1,3-diol is O=N[C@@H](CCc1ccccc1)CC[C@@H]1[C@@H](CC(O)CO)[C@@H](O)C[C@H]1O.
What is the InChIKey of (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3R)-3-nitroso-5-phenylpentyl]cyclopentane-1,3-diol?
The InChIKey is IVDNJRLACPENCJ-YOMVHQSLSA-N. The full InChI is InChI=1S/C19H29NO5/c21-12-15(22)10-17-16(18(23)11-19(17)24)9-8-14(20-25)7-6-13-4-2-1-3-5-13/h1-5,14-19,21-24H,6-12H2/t14-,15?,16+,17+,18+,19-/m0/s1.
What are the key properties of (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3R)-3-nitroso-5-phenylpentyl]cyclopentane-1,3-diol?
(1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3R)-3-nitroso-5-phenylpentyl]cyclopentane-1,3-diol has a molecular weight of 351.44 g/mol, XLogP of 1.64, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R,5R)-4-(2,3-dihydroxypropyl)-5-[(3R)-3-nitroso-5-phenylpentyl]cyclopentane-1,3-diol is sourced from PubChem (CID 143063591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).