(2R)-5,7-dihydroxy-6,8-bis(morpholin-4-ylmethyl)-2-phosphanyl-2,3-dihydrochromen-4-one

C19H27N2O6P — CID 70973752

IUPAC(2R)-5,7-dihydroxy-6,8-bis(morpholin-4-ylmethyl)-2-phosphanyl-2,3-dihydrochromen-4-one
SMILESO=C1C[C@@H](P)Oc2c(CN3CCOCC3)c(O)c(CN3CCOCC3)c(O)c21
InChIInChI=1S/C19H27N2O6P/c22-14-9-15(28)27-19-13(11-21-3-7-26-8-4-21)17(23)12(18(24)16(14)19)10-20-1-5-25-6-2-20/h15,23-24H,1-11,28H2/t15-/m1/s1
InChIKeyBZDAWBUBHCKDSZ-OAHLLOKOSA-N
MW410.41 g/mol
LogP0.93
Rot. Bonds4

About (2R)-5,7-dihydroxy-6,8-bis(morpholin-4-ylmethyl)-2-phosphanyl-2,3-dihydrochromen-4-one

(2R)-5,7-dihydroxy-6,8-bis(morpholin-4-ylmethyl)-2-phosphanyl-2,3-dihydrochromen-4-one (PubChem CID 70973752) has the molecular formula C19H27N2O6P and a molecular weight of 410.41 g/mol. Its IUPAC name is (2R)-5,7-dihydroxy-6,8-bis(morpholin-4-ylmethyl)-2-phosphanyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-5,7-dihydroxy-6,8-bis(morpholin-4-ylmethyl)-2-phosphanyl-2,3-dihydrochromen-4-one
PubChem CID70973752
Molecular FormulaC19H27N2O6P
Molecular Weight410.41 g/mol
Exact Mass410.16
IUPAC Name(2R)-5,7-dihydroxy-6,8-bis(morpholin-4-ylmethyl)-2-phosphanyl-2,3-dihydrochromen-4-one
SMILESO=C1C[C@@H](P)Oc2c(CN3CCOCC3)c(O)c(CN3CCOCC3)c(O)c21
InChIInChI=1S/C19H27N2O6P/c22-14-9-15(28)27-19-13(11-21-3-7-26-8-4-21)17(23)12(18(24)16(14)19)10-20-1-5-25-6-2-20/h15,23-24H,1-11,28H2/t15-/m1/s1
InChIKeyBZDAWBUBHCKDSZ-OAHLLOKOSA-N
XLogP0.93
TPSA91.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one
CID 134863979
4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine
CID 3043329
3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol
CID 139658917
5-(azepan-1-ylmethyl)-4-hydroxy-3-(morpholin-4-ylmethyl)pyran-2-one
CID 71701165
5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 1249876
6-chloro-5-hydroxy-4-(morpholin-4-ylmethyl)-1,3-benzoxathiol-2-one
CID 23762590
3,4-dichloro-2-(morpholin-4-ylmethyl)phenol
CID 12823160
3-hydroxy-6-(morpholin-4-ylmethyl)-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyran-4-one
CID 91821740
5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-(morpholin-4-ylmethyl)chromen-4-one
CID 71450402
3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one
CID 91823693
3-amino-2-(morpholin-4-ylmethyl)phenol;azane
CID 69382401
2,4-difluoro-3-(morpholin-4-ylmethyl)phenol
CID 126778749

Frequently Asked Questions

What is the IUPAC name of (2R)-5,7-dihydroxy-6,8-bis(morpholin-4-ylmethyl)-2-phosphanyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-5,7-dihydroxy-6,8-bis(morpholin-4-ylmethyl)-2-phosphanyl-2,3-dihydrochromen-4-one (CID 70973752) is (2R)-5,7-dihydroxy-6,8-bis(morpholin-4-ylmethyl)-2-phosphanyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-5,7-dihydroxy-6,8-bis(morpholin-4-ylmethyl)-2-phosphanyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-5,7-dihydroxy-6,8-bis(morpholin-4-ylmethyl)-2-phosphanyl-2,3-dihydrochromen-4-one is O=C1C[C@@H](P)Oc2c(CN3CCOCC3)c(O)c(CN3CCOCC3)c(O)c21.
What is the InChIKey of (2R)-5,7-dihydroxy-6,8-bis(morpholin-4-ylmethyl)-2-phosphanyl-2,3-dihydrochromen-4-one?
The InChIKey is BZDAWBUBHCKDSZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N2O6P/c22-14-9-15(28)27-19-13(11-21-3-7-26-8-4-21)17(23)12(18(24)16(14)19)10-20-1-5-25-6-2-20/h15,23-24H,1-11,28H2/t15-/m1/s1.
What are the key properties of (2R)-5,7-dihydroxy-6,8-bis(morpholin-4-ylmethyl)-2-phosphanyl-2,3-dihydrochromen-4-one?
(2R)-5,7-dihydroxy-6,8-bis(morpholin-4-ylmethyl)-2-phosphanyl-2,3-dihydrochromen-4-one has a molecular weight of 410.41 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,7-dihydroxy-6,8-bis(morpholin-4-ylmethyl)-2-phosphanyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 70973752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).