3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione

C25H19N3O7 — CID 10790657

IUPAC3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
SMILESO=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1O[C@H]1OCC(O)[C@H](O)[C@H]1O
InChIInChI=1S/C25H19N3O7/c29-14-9-34-25(22(31)21(14)30)35-28-13-8-4-2-6-11(13)16-18-17(23(32)27-24(18)33)15-10-5-1-3-7-12(10)26-19(15)20(16)28/h1-8,14,21-22,25-26,29-31H,9H2,(H,27,32,33)/t14?,21-,22+,25+/m0/s1
InChIKeyIPJSOXNKOXIEON-JGQXZDMMSA-N
MW473.44 g/mol
LogP1.18
Rot. Bonds2

About 3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione

3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione (PubChem CID 10790657) has the molecular formula C25H19N3O7 and a molecular weight of 473.44 g/mol. Its IUPAC name is 3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione.

Molecular Properties

Compound Name3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
PubChem CID10790657
Molecular FormulaC25H19N3O7
Molecular Weight473.44 g/mol
Exact Mass473.12
IUPAC Name3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
SMILESO=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1O[C@H]1OCC(O)[C@H](O)[C@H]1O
InChIInChI=1S/C25H19N3O7/c29-14-9-34-25(22(31)21(14)30)35-28-13-8-4-2-6-11(13)16-18-17(23(32)27-24(18)33)15-10-5-1-3-7-12(10)26-19(15)20(16)28/h1-8,14,21-22,25-26,29-31H,9H2,(H,27,32,33)/t14?,21-,22+,25+/m0/s1
InChIKeyIPJSOXNKOXIEON-JGQXZDMMSA-N
XLogP1.18
TPSA146.04 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.44
LogP ≤ 51.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione with MolForge

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Related Compounds

3-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 11351560
3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 139953974
3-[(2S)-oxolan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 70790552
3-[(2R)-oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 126692364
13-methyl-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 10600476
3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 10323743
[(1R,2S,3S)-4-(12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)-2,3-dihydroxycyclohexyl] acetate
CID 58936689
3-(3-aminocyclopentyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 142900298
6-chloro-3-[(4S)-4-hydroxycyclopent-2-en-1-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 58936699
dimethyl 12-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-11H-indolo[2,3-a]carbazole-5,6-dicarboxylate
CID 11785403
1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione
CID 5330644
3-hydroxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 10882779

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
The IUPAC name of 3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione (CID 10790657) is 3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione.
What is the SMILES notation for 3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
The canonical SMILES for 3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione is O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1O[C@H]1OCC(O)[C@H](O)[C@H]1O.
What is the InChIKey of 3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
The InChIKey is IPJSOXNKOXIEON-JGQXZDMMSA-N. The full InChI is InChI=1S/C25H19N3O7/c29-14-9-34-25(22(31)21(14)30)35-28-13-8-4-2-6-11(13)16-18-17(23(32)27-24(18)33)15-10-5-1-3-7-12(10)26-19(15)20(16)28/h1-8,14,21-22,25-26,29-31H,9H2,(H,27,32,33)/t14?,21-,22+,25+/m0/s1.
What are the key properties of 3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione has a molecular weight of 473.44 g/mol, XLogP of 1.18, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione is sourced from PubChem (CID 10790657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).