CID 153376137

C19H34AuN5O3PS+ — CID 153376137

IUPAC—
SMILESCC[PH+](CC)CC.O=C(O)CCCCC1SCC2NC(=O)N(Cc3[c-]nn[nH]3)C21.[Au+]
InChIInChI=1S/C13H18N5O3S.C6H15P.Au/c19-11(20)4-2-1-3-10-12-9(7-22-10)15-13(21)18(12)6-8-5-14-17-16-8;1-4-7(5-2)6-3;/h9-10,12H,1-4,6-7H2,(H,15,21)(H,19,20)(H,14,16,17);4-6H2,1-3H3;/q-1;;+1/p+1
InChIKeyPQDCREHPUUMMCI-UHFFFAOYSA-O
MW640.52 g/mol
LogP2.89
Rot. Bonds10

About CID 153376137

CID 153376137 (PubChem CID 153376137) has the molecular formula C19H34AuN5O3PS+ and a molecular weight of 640.52 g/mol.

Molecular Properties

Compound NameCID 153376137
PubChem CID153376137
Molecular FormulaC19H34AuN5O3PS+
Molecular Weight640.52 g/mol
Exact Mass640.18
IUPAC Name—
SMILESCC[PH+](CC)CC.O=C(O)CCCCC1SCC2NC(=O)N(Cc3[c-]nn[nH]3)C21.[Au+]
InChIInChI=1S/C13H18N5O3S.C6H15P.Au/c19-11(20)4-2-1-3-10-12-9(7-22-10)15-13(21)18(12)6-8-5-14-17-16-8;1-4-7(5-2)6-3;/h9-10,12H,1-4,6-7H2,(H,15,21)(H,19,20)(H,14,16,17);4-6H2,1-3H3;/q-1;;+1/p+1
InChIKeyPQDCREHPUUMMCI-UHFFFAOYSA-O
XLogP2.89
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.52
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'biotin_analogue', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-[(3aS,4S,6aR)-3-hexyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
CID 87758275
5-[(3aR,4R,6aS)-3-benzyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
CID 141398828
5-[(3aS,4S,6aR)-3-ethyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
CID 88567841
5-[(3aR,4R,6aS)-3-octanoyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
CID 142859195
13-[(3aS,4S,6aR)-3-ethyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]tridecane-2,9-dione
CID 159449565
6-[5-[(3aS,4S,6aR)-3-methyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl-methylamino]hexanoic acid
CID 87758083
methyl 5-(2-oxo-3-prop-2-ynyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate
CID 146286850
3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-3-ethyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 87756914
(2,5-dihydroxypyrrol-1-yl) 5-(3-butyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate
CID 123351480
5-[(3aS,4S,6aR)-3-(4-methylphenyl)sulfonyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
CID 56840338
5-[(3aS,4S)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
CID 121337643
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid;λ2-plumbane
CID 174156110

Frequently Asked Questions

What is the IUPAC name of CID 153376137?
The IUPAC name of CID 153376137 (CID 153376137) is not available.
What is the SMILES notation for CID 153376137?
The canonical SMILES for CID 153376137 is CC[PH+](CC)CC.O=C(O)CCCCC1SCC2NC(=O)N(Cc3[c-]nn[nH]3)C21.[Au+].
What is the InChIKey of CID 153376137?
The InChIKey is PQDCREHPUUMMCI-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18N5O3S.C6H15P.Au/c19-11(20)4-2-1-3-10-12-9(7-22-10)15-13(21)18(12)6-8-5-14-17-16-8;1-4-7(5-2)6-3;/h9-10,12H,1-4,6-7H2,(H,15,21)(H,19,20)(H,14,16,17);4-6H2,1-3H3;/q-1;;+1/p+1.
What are the key properties of CID 153376137?
CID 153376137 has a molecular weight of 640.52 g/mol, XLogP of 2.89, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153376137 is sourced from PubChem (CID 153376137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).