CID 59237810

C24H41N4O15 — CID 59237810

IUPAC—

SMILESCC(=O)NC1[C@H](OC(C)[C@H]([NH])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)OC(CO)[C@H](O)[C@@H]1O[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O

InChIInChI=1S/C24H41N4O15/c1-7(20(36)27-8(2)22(38)39)26-21(37)13(25)9(3)40-23-14(28-10(4)31)19(16(33)12(6-30)41-23)43-24-18(35)17(34)15(32)11(5-29)42-24/h7-9,11-19,23-25,29-30,32-35H,5-6H2,1-4H3,(H,26,37)(H,27,36)(H,28,31)(H,38,39)/t7-,8-,9?,11?,12?,13-,14?,15-,16-,17-,18?,19+,23+,24-/m0/s1

InChIKeyYUEGPDJNIRRNKR-JDBXQGAKSA-N

MW625.60 g/mol

LogP-6.10

Rot. Bonds13

About CID 59237810

CID 59237810 (PubChem CID 59237810) has the molecular formula C24H41N4O15 and a molecular weight of 625.60 g/mol.

Molecular Properties

Compound Name	CID 59237810
PubChem CID	59237810
Molecular Formula	C24H41N4O15
Molecular Weight	625.60 g/mol
Exact Mass	625.26
IUPAC Name	—
SMILES	CC(=O)NC1[C@H](OC(C)[C@H]([NH])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)OC(CO)[C@H](O)[C@@H]1O[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O
InChI	InChI=1S/C24H41N4O15/c1-7(20(36)27-8(2)22(38)39)26-21(37)13(25)9(3)40-23-14(28-10(4)31)19(16(33)12(6-30)41-23)43-24-18(35)17(34)15(32)11(5-29)42-24/h7-9,11-19,23-25,29-30,32-35H,5-6H2,1-4H3,(H,26,37)(H,27,36)(H,28,31)(H,38,39)/t7-,8-,9?,11?,12?,13-,14?,15-,16-,17-,18?,19+,23+,24-/m0/s1
InChIKey	YUEGPDJNIRRNKR-JDBXQGAKSA-N
XLogP	-6.10
TPSA	306.70 Å²
H-Bond Donors	10
H-Bond Acceptors	14
Rotatable Bonds	13
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	625.60
LogP ≤ 5	-6.10
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	14

Related Compounds

Frequently Asked Questions

What is the IUPAC name of CID 59237810?

The IUPAC name of CID 59237810 (CID 59237810) is not available.

What is the SMILES notation for CID 59237810?

The canonical SMILES for CID 59237810 is CC(=O)NC1[C@H](OC(C)[C@H]([NH])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)OC(CO)[C@H](O)[C@@H]1O[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O.

What is the InChIKey of CID 59237810?

The InChIKey is YUEGPDJNIRRNKR-JDBXQGAKSA-N. The full InChI is InChI=1S/C24H41N4O15/c1-7(20(36)27-8(2)22(38)39)26-21(37)13(25)9(3)40-23-14(28-10(4)31)19(16(33)12(6-30)41-23)43-24-18(35)17(34)15(32)11(5-29)42-24/h7-9,11-19,23-25,29-30,32-35H,5-6H2,1-4H3,(H,26,37)(H,27,36)(H,28,31)(H,38,39)/t7-,8-,9?,11?,12?,13-,14?,15-,16-,17-,18?,19+,23+,24-/m0/s1.

What are the key properties of CID 59237810?

CID 59237810 has a molecular weight of 625.60 g/mol, XLogP of -6.10, 13 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for CID 59237810 is sourced from PubChem (CID 59237810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).