[(6R,10S,11R,13R)-3,8-diamino-2-hydroxy-6-(hydroxymethyl)-10,13-dimethyl-2,4,7,9-tetrazatetracyclo[7.4.0.01,5.011,13]trideca-3,7-dien-11-yl] sulfamate

C12H21N7O5S — CID 155260769

IUPAC[(6R,10S,11R,13R)-3,8-diamino-2-hydroxy-6-(hydroxymethyl)-10,13-dimethyl-2,4,7,9-tetrazatetracyclo[7.4.0.01,5.011,13]trideca-3,7-dien-11-yl] sulfamate
SMILESC[C@@H]1N2C(N)=N[C@@H](CO)C3N=C(N)N(O)C32[C@@]2(C)C[C@]12OS(N)(=O)=O
InChIInChI=1S/C12H21N7O5S/c1-5-11(24-25(15,22)23)4-10(11,2)12-7(17-9(14)19(12)21)6(3-20)16-8(13)18(5)12/h5-7,20-21H,3-4H2,1-2H3,(H2,13,16)(H2,14,17)(H2,15,22,23)/t5-,6-,7?,10-,11-,12?/m0/s1
InChIKeyUWJLWDQATYFMDR-WJEDWWLRSA-N
MW375.41 g/mol
LogP-3.17
Rot. Bonds3

About [(6R,10S,11R,13R)-3,8-diamino-2-hydroxy-6-(hydroxymethyl)-10,13-dimethyl-2,4,7,9-tetrazatetracyclo[7.4.0.01,5.011,13]trideca-3,7-dien-11-yl] sulfamate

[(6R,10S,11R,13R)-3,8-diamino-2-hydroxy-6-(hydroxymethyl)-10,13-dimethyl-2,4,7,9-tetrazatetracyclo[7.4.0.01,5.011,13]trideca-3,7-dien-11-yl] sulfamate (PubChem CID 155260769) has the molecular formula C12H21N7O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is [(6R,10S,11R,13R)-3,8-diamino-2-hydroxy-6-(hydroxymethyl)-10,13-dimethyl-2,4,7,9-tetrazatetracyclo[7.4.0.01,5.011,13]trideca-3,7-dien-11-yl] sulfamate.

Molecular Properties

Compound Name[(6R,10S,11R,13R)-3,8-diamino-2-hydroxy-6-(hydroxymethyl)-10,13-dimethyl-2,4,7,9-tetrazatetracyclo[7.4.0.01,5.011,13]trideca-3,7-dien-11-yl] sulfamate
PubChem CID155260769
Molecular FormulaC12H21N7O5S
Molecular Weight375.41 g/mol
Exact Mass375.13
IUPAC Name[(6R,10S,11R,13R)-3,8-diamino-2-hydroxy-6-(hydroxymethyl)-10,13-dimethyl-2,4,7,9-tetrazatetracyclo[7.4.0.01,5.011,13]trideca-3,7-dien-11-yl] sulfamate
SMILESC[C@@H]1N2C(N)=N[C@@H](CO)C3N=C(N)N(O)C32[C@@]2(C)C[C@]12OS(N)(=O)=O
InChIInChI=1S/C12H21N7O5S/c1-5-11(24-25(15,22)23)4-10(11,2)12-7(17-9(14)19(12)21)6(3-20)16-8(13)18(5)12/h5-7,20-21H,3-4H2,1-2H3,(H2,13,16)(H2,14,17)(H2,15,22,23)/t5-,6-,7?,10-,11-,12?/m0/s1
InChIKeyUWJLWDQATYFMDR-WJEDWWLRSA-N
XLogP-3.17
TPSA193.09 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.41
LogP ≤ 5-3.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze [(6R,10S,11R,13R)-3,8-diamino-2-hydroxy-6-(hydroxymethyl)-10,13-dimethyl-2,4,7,9-tetrazatetracyclo[7.4.0.01,5.011,13]trideca-3,7-dien-11-yl] sulfamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(6R,10S,11R,13R)-3,8-diamino-2-hydroxy-6-(hydroxymethyl)-10,13-dimethyl-2,4,7,9-tetrazatetracyclo[7.4.0.01,5.011,13]trideca-3,7-dien-11-yl] sulfamate?
The IUPAC name of [(6R,10S,11R,13R)-3,8-diamino-2-hydroxy-6-(hydroxymethyl)-10,13-dimethyl-2,4,7,9-tetrazatetracyclo[7.4.0.01,5.011,13]trideca-3,7-dien-11-yl] sulfamate (CID 155260769) is [(6R,10S,11R,13R)-3,8-diamino-2-hydroxy-6-(hydroxymethyl)-10,13-dimethyl-2,4,7,9-tetrazatetracyclo[7.4.0.01,5.011,13]trideca-3,7-dien-11-yl] sulfamate.
What is the SMILES notation for [(6R,10S,11R,13R)-3,8-diamino-2-hydroxy-6-(hydroxymethyl)-10,13-dimethyl-2,4,7,9-tetrazatetracyclo[7.4.0.01,5.011,13]trideca-3,7-dien-11-yl] sulfamate?
The canonical SMILES for [(6R,10S,11R,13R)-3,8-diamino-2-hydroxy-6-(hydroxymethyl)-10,13-dimethyl-2,4,7,9-tetrazatetracyclo[7.4.0.01,5.011,13]trideca-3,7-dien-11-yl] sulfamate is C[C@@H]1N2C(N)=N[C@@H](CO)C3N=C(N)N(O)C32[C@@]2(C)C[C@]12OS(N)(=O)=O.
What is the InChIKey of [(6R,10S,11R,13R)-3,8-diamino-2-hydroxy-6-(hydroxymethyl)-10,13-dimethyl-2,4,7,9-tetrazatetracyclo[7.4.0.01,5.011,13]trideca-3,7-dien-11-yl] sulfamate?
The InChIKey is UWJLWDQATYFMDR-WJEDWWLRSA-N. The full InChI is InChI=1S/C12H21N7O5S/c1-5-11(24-25(15,22)23)4-10(11,2)12-7(17-9(14)19(12)21)6(3-20)16-8(13)18(5)12/h5-7,20-21H,3-4H2,1-2H3,(H2,13,16)(H2,14,17)(H2,15,22,23)/t5-,6-,7?,10-,11-,12?/m0/s1.
What are the key properties of [(6R,10S,11R,13R)-3,8-diamino-2-hydroxy-6-(hydroxymethyl)-10,13-dimethyl-2,4,7,9-tetrazatetracyclo[7.4.0.01,5.011,13]trideca-3,7-dien-11-yl] sulfamate?
[(6R,10S,11R,13R)-3,8-diamino-2-hydroxy-6-(hydroxymethyl)-10,13-dimethyl-2,4,7,9-tetrazatetracyclo[7.4.0.01,5.011,13]trideca-3,7-dien-11-yl] sulfamate has a molecular weight of 375.41 g/mol, XLogP of -3.17, 3 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R,10S,11R,13R)-3,8-diamino-2-hydroxy-6-(hydroxymethyl)-10,13-dimethyl-2,4,7,9-tetrazatetracyclo[7.4.0.01,5.011,13]trideca-3,7-dien-11-yl] sulfamate is sourced from PubChem (CID 155260769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).