Structure Database (LMSD)

Common Name
11-Hydroxyprogesterone 11-glucuronide
Systematic Name
Synonyms
LM ID
LMST05010031
Status
Active
Exact Mass
Calculate m/z
506.251585
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
WVTMNZAPPOMZST-UCMXSJKRSA-N
InChi (Click to copy)
InChI=1S/C27H38O9/c1-12(28)16-6-7-17-15-5-4-13-10-14(29)8-9-26(13,2)19(15)18(11-27(16,17)3)35-25-22(32)20(30)21(31)23(36-25)24(33)34/h10,15-23,25,30-32H,4-9,11H2,1-3H3,(H,33,34)/t15?,16-,17?,18?,19?,20+,21+,22-,23+,25-,26+,27-/m1/s1
SMILES (Click to copy)
C12CCC3=CC(=O)CC[C@]3(C)C1C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O1)C[C@]1(C)[C@@H](C(=O)C)CCC21

References

Other Databases

HMDB ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 5
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 482.41
Topological Polar Surface Area 152.66
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
logP 3.33
Molar Refractivity 128.53

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Created at
-
Updated at
23rd Nov 2021